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Chemie Search results for query - Protein Data Bank Japan
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rel="noopener">PDBe</a><a title="Biological Magnetic Resonance Data Bank" href="https://bmrb.io/" target="_blank" rel="noopener">BMRB</a><a title="PDBj Advanced search" href="/rdb/build">Adv. 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N3</td></tr><tr><td>SMILES:</td><td>NC(=N)NCc1cccc(I)c1</td></tr><tr><td>InChi:</td><td>InChI=1S/C8H10IN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)</td></tr><tr><td>Synonyms:</td><td>1-[(3-iodanylphenyl)methyl]guanidine</td></tr><tr><td>Definition date:</td><td>2023-12-06</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-06-26</td></tr><tr><td>Identifier:</td><td>1-[(3-iodanylphenyl)methyl]guanidine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/YNT"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/YNT.svg" alt="YNT" title="YNT"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/YNT">YNT</a></td></tr><tr><td>Name:</td><td>Radafaxine</td></tr><tr><td>Formula:</td><td>C13 H18 Cl N O2</td></tr><tr><td>SMILES:</td><td>C[CH]1NC(C)(C)CO[C]1(O)c2cccc(Cl)c2</td></tr><tr><td>InChi:</td><td>InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1</td></tr><tr><td>Synonyms:</td><td>(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol</td></tr><tr><td>Definition date:</td><td>2023-12-07</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-07-10</td></tr><tr><td>Identifier:</td><td>(2~{S},3~{S})-2-(3-chlorophenyl)-3,5,5-trimethyl-morpholin-2-ol</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1D5A"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5A.svg" alt="A1D5A" title="A1D5A"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1D5A">A1D5A</a></td></tr><tr><td>Name:</td><td>Cloprostenol</td></tr><tr><td>Formula:</td><td>C22 H29 Cl O6</td></tr><tr><td>SMILES:</td><td>O[CH](COc1cccc(Cl)c1)C=C[CH]2[CH](O)C[CH](O)[CH]2CC=CCCCC(O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1</td></tr><tr><td>Definition date:</td><td>2023-12-28</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-02-28</td></tr><tr><td>Identifier:</td><td>(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E},3~{R})-4-(3-chloranylphenoxy)-3-oxidanyl-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1D5I"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5I.svg" alt="A1D5I" title="A1D5I"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1D5I">A1D5I</a></td></tr><tr><td>Name:</td><td>Macitentan</td></tr><tr><td>Formula:</td><td>C19 H20 Br2 N6 O4 S</td></tr><tr><td>SMILES:</td><td>CCCN[S](=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1c3ccc(Br)cc3</td></tr><tr><td>InChi:</td><td>InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)</td></tr><tr><td>Definition date:</td><td>2024-01-19</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-08-28</td></tr><tr><td>Identifier:</td><td>6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(4-bromophenyl)-~{N}-(propylsulfamoyl)pyrimidin-4-amine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/Y9J"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/Y9J.svg" alt="Y9J" title="Y9J"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/Y9J">Y9J</a></td></tr><tr><td>Name:</td><td>Treprostinil</td></tr><tr><td>Formula:</td><td>C23 H34 O5</td></tr><tr><td>SMILES:</td><td>CCCCC[CH](O)CC[CH]1[CH](O)C[CH]2Cc3c(C[CH]12)cccc3OCC(O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1</td></tr><tr><td>Synonyms:</td><td>2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid</td></tr><tr><td>Definition date:</td><td>2023-11-28</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-03-06</td></tr><tr><td>Identifier:</td><td>2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1D8Y"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1D8Y.svg" alt="A1D8Y" title="A1D8Y"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1D8Y">A1D8Y</a></td></tr><tr><td>Name:</td><td>GSK-1292263</td></tr><tr><td>Formula:</td><td>C23 H28 N4 O4 S</td></tr><tr><td>SMILES:</td><td>CC(C)c1noc(n1)N2CCC(CC2)COc3ccc(nc3)c4ccc(cc4)[S](C)(=O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C23H28N4O4S/c1-16(2)22-25-23(31-26-22)27-12-10-17(11-13-27)15-30-19-6-9-21(24-14-19)18-4-7-20(8-5-18)32(3,28)29/h4-9,14,16-17H,10-13,15H2,1-3H3</td></tr><tr><td>Definition date:</td><td>2024-06-07</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-06-19</td></tr><tr><td>Identifier:</td><td>5-[4-[[6-(4-methylsulfonylphenyl)pyridin-3-yl]oxymethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/WJ9"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WJ9.svg" alt="WJ9" title="WJ9"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WJ9">WJ9</a></td></tr><tr><td>Name:</td><td>Exarafenib</td></tr><tr><td>Formula:</td><td>C26 H34 F3 N5 O3</td></tr><tr><td>SMILES:</td><td>C[CH](CO)Nc1cc(cc(n1)N2CCOCC2)c3cc(NC(=O)N4CC[CH](C4)CC(F)(F)F)ccc3C</td></tr><tr><td>InChi:</td><td>InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1</td></tr><tr><td>Synonyms:</td><td>(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide</td></tr><tr><td>Definition date:</td><td>2023-10-05</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-01-24</td></tr><tr><td>Identifier:</td><td>(3~{S})-~{N}-[4-methyl-3-[2-morpholin-4-yl-6-[[(2~{R})-1-oxidanylpropan-2-yl]amino]pyridin-4-yl]phenyl]-3-[2,2,2-tris(fluoranyl)ethyl]pyrrolidine-1-carboxamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/XEF"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/XEF.svg" alt="XEF" title="XEF"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/XEF">XEF</a></td></tr><tr><td>Name:</td><td>Ziprasidone</td></tr><tr><td>Formula:</td><td>C21 H21 Cl N4 O S</td></tr><tr><td>SMILES:</td><td>Clc1cc2NC(=O)Cc2cc1CCN3CCN(CC3)c4nsc5ccccc45</td></tr><tr><td>InChi:</td><td>InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)</td></tr><tr><td>Synonyms:</td><td>5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one</td></tr><tr><td>Definition date:</td><td>2023-10-31</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-08-07</td></tr><tr><td>Identifier:</td><td>5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/UIY"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/UIY.svg" alt="UIY" title="UIY"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/UIY">UIY</a></td></tr><tr><td>Name:</td><td>AB-8939</td></tr><tr><td>Formula:</td><td>C22 H24 N4 O3</td></tr><tr><td>SMILES:</td><td>CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC4=O)c1</td></tr><tr><td>InChi:</td><td>InChI=1S/C22H24N4O3/c1-3-28-14-16-5-4-15(2)19(12-16)25-21-24-13-20(29-21)17-6-8-18(9-7-17)26-11-10-23-22(26)27/h4-9,12-13H,3,10-11,14H2,1-2H3,(H,23,27)(H,24,25)</td></tr><tr><td>Synonyms:</td><td>1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one</td></tr><tr><td>Definition date:</td><td>2023-02-06</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-08-14</td></tr><tr><td>Identifier:</td><td>1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/UKI"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/UKI.svg" alt="UKI" title="UKI"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/UKI">UKI</a></td></tr><tr><td>Name:</td><td>Sulfatinib</td></tr><tr><td>Formula:</td><td>C24 H28 N6 O3 S</td></tr><tr><td>SMILES:</td><td>CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc4[nH]c(C)cc4c3)n2)c1</td></tr><tr><td>InChi:</td><td>InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)</td></tr><tr><td>Synonyms:</td><td>N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide</td></tr><tr><td>Definition date:</td><td>2023-06-08</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-03-27</td></tr><tr><td>Identifier:</td><td>~{N}-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1~{H}-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/TF9"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/TF9.svg" alt="TF9" title="TF9"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/TF9">TF9</a></td></tr><tr><td>Name:</td><td>acetohexamide</td></tr><tr><td>Formula:</td><td>C15 H20 N2 O4 S</td></tr><tr><td>SMILES:</td><td>CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2</td></tr><tr><td>InChi:</td><td>InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)</td></tr><tr><td>Synonyms:</td><td>1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea</td></tr><tr><td>Definition date:</td><td>2023-04-21</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-04-24</td></tr><tr><td>Identifier:</td><td>1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/OL9"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/OL9.svg" alt="OL9" title="OL9"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/OL9">OL9</a></td></tr><tr><td>Name:</td><td>MK-0752</td></tr><tr><td>Formula:</td><td>C21 H21 Cl F2 O4 S</td></tr><tr><td>SMILES:</td><td>OC(=O)CC[CH]1CC[C](CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3</td></tr><tr><td>InChi:</td><td>InChI=1S/C21H21ClF2O4S/c22-15-2-5-17(6-3-15)29(27,28)21(18-13-16(23)4-7-19(18)24)11-9-14(10-12-21)1-8-20(25)26/h2-7,13-14H,1,8-12H2,(H,25,26)/t14-,21+</td></tr><tr><td>Definition date:</td><td>2023-08-23</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-08-14</td></tr><tr><td>Identifier:</td><td>3-[4-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-cyclohexyl]propanoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/SD9"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/SD9.svg" alt="SD9" title="SD9"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/SD9">SD9</a></td></tr><tr><td>Name:</td><td>Cimetidine</td></tr><tr><td>Formula:</td><td>C10 H16 N6 S</td></tr><tr><td>SMILES:</td><td>CNC(NCCSCc1nc[nH]c1C)=NC#N</td></tr><tr><td>InChi:</td><td>InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)</td></tr><tr><td>Synonyms:</td><td>2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine</td></tr><tr><td>Definition date:</td><td>2023-04-11</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-09-18</td></tr><tr><td>Identifier:</td><td>2-cyano-1-methyl-3-[2-[(5-methyl-1~{H}-imidazol-4-yl)methylsulfanyl]ethyl]guanidine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/VRW"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/VRW.svg" alt="VRW" title="VRW"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/VRW">VRW</a></td></tr><tr><td>Name:</td><td>Nanvuranlat</td></tr><tr><td>Formula:</td><td>C23 H19 Cl2 N3 O4</td></tr><tr><td>SMILES:</td><td>N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1</td></tr><tr><td>Synonyms:</td><td>(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid</td></tr><tr><td>Definition date:</td><td>2023-08-10</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-07-17</td></tr><tr><td>Identifier:</td><td>(2~{S})-2-azanyl-3-[4-[(5-azanyl-2-phenyl-1,3-benzoxazol-7-yl)methoxy]-3,5-bis(chloranyl)phenyl]propanoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/Q70"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/Q70.svg" alt="Q70" title="Q70"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/Q70">Q70</a></td></tr><tr><td>Name:</td><td>Osugacestat</td></tr><tr><td>Formula:</td><td>C26 H26 F6 N4 O3</td></tr><tr><td>SMILES:</td><td>CN1C(=O)[CH](NC(=O)[CH](CCC(F)(F)F)[CH](CCC(F)(F)F)C(N)=O)N=C(c2ccccc2)c3ccccc13</td></tr><tr><td>InChi:</td><td>InChI=1S/C26H26F6N4O3/c1-36-19-10-6-5-9-18(19)20(15-7-3-2-4-8-15)34-22(24(36)39)35-23(38)17(12-14-26(30,31)32)16(21(33)37)11-13-25(27,28)29/h2-10,16-17,22H,11-14H2,1H3,(H2,33,37)(H,35,38)/t16-,17+,22+/m0/s1</td></tr><tr><td>Definition date:</td><td>2023-08-28</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-08-14</td></tr><tr><td>Identifier:</td><td>(2~{S},3~{R})-~{N}'-[(3~{S})-1-methyl-2-oxidanylidene-5-phenyl-3~{H}-1,4-benzodiazepin-3-yl]-2,3-bis[3,3,3-tris(fluoranyl)propyl]butanediamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/6KB"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/6KB.svg" alt="6KB" title="6KB"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/6KB">6KB</a></td></tr><tr><td>Name:</td><td>4-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxybutanoic acid</td></tr><tr><td>Formula:</td><td>C19 H30 N5 O19 P3</td></tr><tr><td>SMILES:</td><td>O=C(CCCOC1OC(C(C1O)O)COP(O)(OP(O)(=O)OCC4OC(n3c2c(c(ncn2)N)nc3)C(C4O)OP(O)(=O)O)=O)O</td></tr><tr><td>InChi:</td><td>InChI=1S/C19H30N5O19P3/c20-16-11-17(22-6-21-16)24(7-23-11)18-15(42-44(30,31)32)13(28)9(40-18)5-39-46(35,36)43-45(33,34)38-4-8-12(27)14(29)19(41-8)37-3-1-2-10(25)26/h6-9,12-15,18-19,27-29H,1-5H2,(H,25,26)(H,33,34)(H,35,36)(H2,20,21,22)(H2,30,31,32)/t8-,9-,12-,13-,14-,15-,18-,19-/m1/s1</td></tr><tr><td>Definition date:</td><td>2016-04-21</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2017-05-03</td></tr><tr><td>Identifier:</td><td>4-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]oxy}butanoic acid (non-preferred name)</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/J3O"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/J3O.svg" alt="J3O" title="J3O"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/J3O">J3O</a></td></tr><tr><td>Name:</td><td>Fenofibrate</td></tr><tr><td>Formula:</td><td>C20 H21 Cl O4</td></tr><tr><td>SMILES:</td><td>CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2</td></tr><tr><td>InChi:</td><td>InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3</td></tr><tr><td>Definition date:</td><td>2023-08-07</td></tr><tr><td>Last modified:</td><td>2024-11-11</td></tr><tr><td>Release date:</td><td>2024-02-14</td></tr><tr><td>Identifier:</td><td>propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/XPI"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/XPI.svg" alt="XPI" title="XPI"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/XPI">XPI</a></td></tr><tr><td>Name:</td><td>4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide</td></tr><tr><td>Formula:</td><td>C19 H20 N2 O7 S</td></tr><tr><td>SMILES:</td><td>COc1cc(OC)c(cc1OC)[CH]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C19H20N2O7S/c1-25-15-10-18(27-3)17(26-2)8-13(15)16-9-14(19(22)28-16)21-11-4-6-12(7-5-11)29(20,23)24/h4-10,16,21H,1-3H3,(H2,20,23,24)/t16-/m1/s1</td></tr><tr><td>Definition date:</td><td>2023-11-07</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1AWV"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1AWV.svg" alt="A1AWV" title="A1AWV"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1AWV">A1AWV</a></td></tr><tr><td>Name:</td><td>Pexmetinib</td></tr><tr><td>Formula:</td><td>C31 H33 F N6 O3</td></tr><tr><td>SMILES:</td><td>OCCn1ncc2cc(ccc21)Oc1ccc(F)cc1CNC(=O)Nc1cc(nn1c1ccc(C)cc1)C(C)(C)C</td></tr><tr><td>InChi:</td><td>InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40)</td></tr><tr><td>Synonyms:</td><td>N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea</td></tr><tr><td>Definition date:</td><td>2024-07-08</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/XBX"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/XBX.svg" alt="XBX" title="XBX"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/XBX">XBX</a></td></tr><tr><td>Name:</td><td>(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexadecanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid</td></tr><tr><td>Formula:</td><td>C50 H89 N O16</td></tr><tr><td>SMILES:</td><td>CCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C[CH](O)CCCC[CH](O)C[CH](C)C[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](OC(=O)C[CH](CC(O)=O)C(O)=O)[CH](C)CCCC</td></tr><tr><td>InChi:</td><td>InChI=1S/C50H89NO16/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-26-43(55)51-36(5)41(54)33-40(53)25-22-21-24-39(52)27-34(3)28-42(66-46(60)31-37(49(62)63)29-44(56)57)48(35(4)23-9-7-2)67-47(61)32-38(50(64)65)30-45(58)59/h34-42,48,52-54H,6-33H2,1-5H3,(H,51,55)(H,56,57)(H,58,59)(H,62,63)(H,64,65)</td></tr><tr><td>Definition date:</td><td>2023-10-30</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>(2~{R})-2-[2-[(5~{R},6~{R},7~{S},9~{S},11~{R},16~{R},18~{S},19~{S})-6-[(3~{R})-3-carboxy-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-19-(hexadecanoylamino)-5,9-dimethyl-11,16,18-tris(oxidanyl)icosan-7-yl]oxy-2-oxidanylidene-ethyl]butanedioic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1D9D"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1D9D.svg" alt="A1D9D" title="A1D9D"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1D9D">A1D9D</a></td></tr><tr><td>Name:</td><td>1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-~{N}-piperidin-1-yl-pyrazole-3-carboxamide</td></tr><tr><td>Formula:</td><td>C22 H21 Cl2 I N4 O</td></tr><tr><td>SMILES:</td><td>Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(I)cc3)C(=O)NN4CCCCC4</td></tr><tr><td>InChi:</td><td>InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)</td></tr><tr><td>Definition date:</td><td>2024-06-19</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-~{N}-piperidin-1-yl-pyrazole-3-carboxamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1D9E"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1D9E.svg" alt="A1D9E" title="A1D9E"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1D9E">A1D9E</a></td></tr><tr><td>Name:</td><td>[(2~{R})-2-oxidanyl-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate</td></tr><tr><td>Formula:</td><td>C25 H49 O12 P</td></tr><tr><td>SMILES:</td><td>CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O</td></tr><tr><td>InChi:</td><td>InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20-,21-,22-,23-,24+,25-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-06-19</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>[(2~{R})-2-oxidanyl-3-[oxidanyl-[(2~{S},3~{R},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propyl] hexadecanoate</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1EEC"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1EEC.svg" alt="A1EEC" title="A1EEC"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1EEC">A1EEC</a></td></tr><tr><td>Name:</td><td>(2~{R})-2-[2-[1-[(1~{R})-1-[2,6-bis(chloranyl)-3-cyclopropyl-phenyl]ethyl]imidazo[4,5-c]pyridin-6-yl]phenyl]propanoic acid</td></tr><tr><td>Formula:</td><td>C26 H23 Cl2 N3 O2</td></tr><tr><td>SMILES:</td><td>C[CH](n1cnc2cnc(cc12)c3ccccc3[CH](C)C(O)=O)c4c(Cl)ccc(C5CC5)c4Cl</td></tr><tr><td>InChi:</td><td>InChI=1S/C26H23Cl2N3O2/c1-14(26(32)33)17-5-3-4-6-19(17)21-11-23-22(12-29-21)30-13-31(23)15(2)24-20(27)10-9-18(25(24)28)16-7-8-16/h3-6,9-16H,7-8H2,1-2H3,(H,32,33)/t14-,15-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-10-18</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>(2~{R})-2-[2-[1-[(1~{R})-1-[2,6-bis(chloranyl)-3-cyclopropyl-phenyl]ethyl]imidazo[4,5-c]pyridin-6-yl]phenyl]propanoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/XGB"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/XGB.svg" alt="XGB" title="XGB"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/XGB">XGB</a></td></tr><tr><td>Name:</td><td>6-bromo-1H-benzo[d]imidazol-2-amine</td></tr><tr><td>Formula:</td><td>C7 H6 Br N3</td></tr><tr><td>SMILES:</td><td>Nc1[nH]c2cc(Br)ccc2n1</td></tr><tr><td>InChi:</td><td>InChI=1S/C7H6BrN3/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H3,9,10,11)</td></tr><tr><td>Synonyms:</td><td>6-bromanyl-1H-benzimidazol-2-amine</td></tr><tr><td>Definition date:</td><td>2023-11-01</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>6-bromanyl-1~{H}-benzimidazol-2-amine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/XGF"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/XGF.svg" alt="XGF" title="XGF"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/XGF">XGF</a></td></tr><tr><td>Name:</td><td>5-bromobenzo[d]oxazol-2-amine</td></tr><tr><td>Formula:</td><td>C7 H5 Br N2 O</td></tr><tr><td>SMILES:</td><td>Nc1oc2ccc(Br)cc2n1</td></tr><tr><td>InChi:</td><td>InChI=1S/C7H5BrN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)</td></tr><tr><td>Synonyms:</td><td>5-bromanyl-1,3-benzoxazol-2-amine</td></tr><tr><td>Definition date:</td><td>2023-11-01</td></tr><tr><td>Last modified:</td><td>2024-11-08</td></tr><tr><td>Release date:</td><td>2024-11-13</td></tr><tr><td>Identifier:</td><td>5-bromanyl-1,3-benzoxazol-2-amine</td></tr></tbody></table></td></tr></tbody></table><div id="searchpaginator"><a href="/search/chemie?query=*&page=5&lang=en"><</a><a href="/search/chemie?query=*&lang=en">1</a><a href="/search/chemie?query=*&lang=en&page=2">2</a><a href="/search/chemie?query=*&lang=en&page=3">3</a><a href="/search/chemie?query=*&lang=en&page=4">4</a><a href="/search/chemie?query=*&lang=en&page=5">5</a><b>6</b><a 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