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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. Search</a><a title="PDBj Omni Search Help" href="/help/omni-search">Search help</a></div></div></header><div><main id=""><div class="tabbedPlane" id="pdbj_search" data-lang="en"><a title="PDB" href="/search/pdb?query=*&lang=en" id="tab_pdb">PDB</a><a title="Info pages" href="/search/site?query=*&lang=en" id="tab_site">Info pages</a><a title="Status search" href="/search/status?query=*&lang=en" id="tab_status">Status search</a><a title="Chemie search" href="/search/chemie?query=*&lang=en" id="tab_chemie" class="tab_sel">Chemie search: 44302 results</a><a title="BIRD" href="/search/bird?query=*&lang=en" id="tab_bird">BIRD</a></div><div id="SEARCH_chemie"><table><tbody><tr><td><a href="/chemie/summary/WIW"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WIW.svg" alt="WIW" title="WIW"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WIW">WIW</a></td></tr><tr><td>Name:</td><td>(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one</td></tr><tr><td>Formula:</td><td>C26 H24 N2 O7 S</td></tr><tr><td>SMILES:</td><td>COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH](COC3=O)[CH](Sc4ncccn4)c5cc6OCOc6cc25</td></tr><tr><td>InChi:</td><td>InChI=1S/C26H24N2O7S/c1-30-19-7-13(8-20(31-2)23(19)32-3)21-14-9-17-18(35-12-34-17)10-15(14)24(16-11-33-25(29)22(16)21)36-26-27-5-4-6-28-26/h4-10,16,21-22,24H,11-12H2,1-3H3/t16-,21+,22-,24+/m0/s1</td></tr><tr><td>Definition date:</td><td>2023-10-05</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/WIZ"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WIZ.svg" alt="WIZ" title="WIZ"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WIZ">WIZ</a></td></tr><tr><td>Name:</td><td>3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid</td></tr><tr><td>Formula:</td><td>C25 H23 Br N4 O5</td></tr><tr><td>SMILES:</td><td>C[CH](NC(=O)CC(=O)Nc1ccc(cc1)C(N)=N)c2ccc(Oc3cccc(c3)C(O)=O)c(Br)c2</td></tr><tr><td>InChi:</td><td>InChI=1S/C25H23BrN4O5/c1-14(29-22(31)13-23(32)30-18-8-5-15(6-9-18)24(27)28)16-7-10-21(20(26)12-16)35-19-4-2-3-17(11-19)25(33)34/h2-12,14H,13H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)/t14-/m0/s1</td></tr><tr><td>Definition date:</td><td>2023-10-04</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>3-[2-bromanyl-4-[(1~{S})-1-[[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propanoyl]amino]ethyl]phenoxy]benzoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/ZUY"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/ZUY.svg" alt="ZUY" title="ZUY"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/ZUY">ZUY</a></td></tr><tr><td>Name:</td><td>9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine</td></tr><tr><td>Formula:</td><td>C19 H21 N5 S</td></tr><tr><td>SMILES:</td><td>Cc1cc(C)cc(C)c1Sc1nc2c(N)ncnc2n1CCCC#C</td></tr><tr><td>InChi:</td><td>InChI=1S/C19H21N5S/c1-5-6-7-8-24-18-15(17(20)21-11-22-18)23-19(24)25-16-13(3)9-12(2)10-14(16)4/h1,9-11H,6-8H2,2-4H3,(H2,20,21,22)</td></tr><tr><td>Definition date:</td><td>2023-04-05</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/W3K"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/W3K.svg" alt="W3K" title="W3K"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/W3K">W3K</a></td></tr><tr><td>Name:</td><td>N,N-dimethyl-4-(5-methyl-1H-benzimidazol-2-yl)aniline</td></tr><tr><td>Formula:</td><td>C16 H17 N3</td></tr><tr><td>SMILES:</td><td>CN(C)c1ccc(cc1)c2[nH]c3ccc(C)cc3n2</td></tr><tr><td>InChi:</td><td>InChI=1S/C16H17N3/c1-11-4-9-14-15(10-11)18-16(17-14)12-5-7-13(8-6-12)19(2)3/h4-10H,1-3H3,(H,17,18)</td></tr><tr><td>Definition date:</td><td>2023-09-16</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>~{N},~{N}-dimethyl-4-(5-methyl-1~{H}-benzimidazol-2-yl)aniline</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1A4M"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1A4M.svg" alt="A1A4M" title="A1A4M"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1A4M">A1A4M</a></td></tr><tr><td>Name:</td><td>(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one</td></tr><tr><td>Formula:</td><td>C23 H21 F4 N5 O3</td></tr><tr><td>SMILES:</td><td>FC(F)(F)C(C)C1=NN(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C23H21F4N5O3/c1-4-30-19(11-33)28-32(22(30)35)18-10-14-15(9-16(18)24)21(34)31(17-8-6-5-7-12(17)2)29-20(14)13(3)23(25,26)27/h5-10,13,33H,4,11H2,1-3H3/t13-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-09-04</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]phthalazin-1(2H)-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1A4N"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1A4N.svg" alt="A1A4N" title="A1A4N"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1A4N">A1A4N</a></td></tr><tr><td>Name:</td><td>(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)phthalazin-1(2H)-one</td></tr><tr><td>Formula:</td><td>C23 H24 F N5 O3</td></tr><tr><td>SMILES:</td><td>CC(C)C1=NN(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C23H24FN5O3/c1-5-27-20(12-30)25-29(23(27)32)19-11-15-16(10-17(19)24)22(31)28(26-21(15)13(2)3)18-9-7-6-8-14(18)4/h6-11,13,30H,5,12H2,1-4H3</td></tr><tr><td>Definition date:</td><td>2024-09-04</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(2M,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)phthalazin-1(2H)-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1A4O"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1A4O.svg" alt="A1A4O" title="A1A4O"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1A4O">A1A4O</a></td></tr><tr><td>Name:</td><td>(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one</td></tr><tr><td>Formula:</td><td>C24 H27 F N4 O3</td></tr><tr><td>SMILES:</td><td>CC(C)N1CC(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C24H27FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-20-17(10-19(21)25)23(31)18(12-28(20)14(2)3)16-9-7-6-8-15(16)4/h6-11,14,18,30H,5,12-13H2,1-4H3/t18-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-09-04</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(3S,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)-2,3-dihydroquinolin-4(1H)-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1A4P"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1A4P.svg" alt="A1A4P" title="A1A4P"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1A4P">A1A4P</a></td></tr><tr><td>Name:</td><td>(3P,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)quinolin-4(1H)-one</td></tr><tr><td>Formula:</td><td>C24 H25 F N4 O3</td></tr><tr><td>SMILES:</td><td>CC(C)N1C=C(c2ccccc2C)C(=O)c2cc(F)c(cc21)N1N=C(CO)N(CC)C1=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C24H25FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-20-17(10-19(21)25)23(31)18(12-28(20)14(2)3)16-9-7-6-8-15(16)4/h6-12,14,30H,5,13H2,1-4H3</td></tr><tr><td>Definition date:</td><td>2024-09-04</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(3P,7P)-7-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6-fluoro-3-(2-methylphenyl)-1-(propan-2-yl)quinolin-4(1H)-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/X2T"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/X2T.svg" alt="X2T" title="X2T"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/X2T">X2T</a></td></tr><tr><td>Name:</td><td>(2R)-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2H-pyrrol-5-one</td></tr><tr><td>Formula:</td><td>C16 H15 Cl2 N O3</td></tr><tr><td>SMILES:</td><td>C[CH]1N(C2CC2)C(=O)C(=C1C(=O)c3ccc(Cl)c(C)c3Cl)O</td></tr><tr><td>InChi:</td><td>InChI=1S/C16H15Cl2NO3/c1-7-11(17)6-5-10(13(7)18)14(20)12-8(2)19(9-3-4-9)16(22)15(12)21/h5-6,8-9,21H,3-4H2,1-2H3/t8-/m1/s1</td></tr><tr><td>Definition date:</td><td>2023-10-20</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(2~{R})-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2~{H}-pyrrol-5-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/X3C"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/X3C.svg" alt="X3C" title="X3C"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/X3C">X3C</a></td></tr><tr><td>Name:</td><td>6-chloranyl-3-(2,5-dimethylpyrazol-3-yl)-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione</td></tr><tr><td>Formula:</td><td>C21 H19 Cl N4 O5</td></tr><tr><td>SMILES:</td><td>Cn1nc(C)cc1N2C(=O)N(C)c3cc(c(Cl)cc3C2=O)C(=O)C4=C(O)CCCC4=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C21H19ClN4O5/c1-10-7-17(25(3)23-10)26-20(30)12-8-13(22)11(9-14(12)24(2)21(26)31)19(29)18-15(27)5-4-6-16(18)28/h7-9,27H,4-6H2,1-3H3</td></tr><tr><td>Definition date:</td><td>2023-10-20</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>6-chloranyl-3-(2,5-dimethylpyrazol-3-yl)-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1AJA"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJA.svg" alt="A1AJA" title="A1AJA"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1AJA">A1AJA</a></td></tr><tr><td>Name:</td><td>1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide</td></tr><tr><td>Formula:</td><td>C43 H42 Br Cl N6 O5 S</td></tr><tr><td>SMILES:</td><td>CS(=O)(=O)Nc1cc(NC(=O)CC(c2ccccc2Br)n2c3cc(CN4CCCC4C(=O)NC)ccc3nc2c2cccc(Oc3ccc(Cl)cc3)c2)c(C)cc1</td></tr><tr><td>InChi:</td><td>InChI=1S/C43H42BrClN6O5S/c1-27-13-17-31(49-57(3,54)55)24-37(27)47-41(52)25-39(34-10-4-5-11-35(34)44)51-40-22-28(26-50-21-7-12-38(50)43(53)46-2)14-20-36(40)48-42(51)29-8-6-9-33(23-29)56-32-18-15-30(45)16-19-32/h4-6,8-11,13-20,22-24,38-39,49H,7,12,21,25-26H2,1-3H3,(H,46,53)(H,47,52)</td></tr><tr><td>Definition date:</td><td>2024-04-02</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>1-({(2P)-1-{(1R)-1-(2-bromophenyl)-3-[5-(methanesulfonamido)-2-methylanilino]-3-oxopropyl}-2-[3-(4-chlorophenoxy)phenyl]-1H-1,3-benzimidazol-6-yl}methyl)-N-methyl-D-prolinamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1AJB"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1AJB.svg" alt="A1AJB" title="A1AJB"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1AJB">A1AJB</a></td></tr><tr><td>Name:</td><td>(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide</td></tr><tr><td>Formula:</td><td>C43 H58 F N5 O3</td></tr><tr><td>SMILES:</td><td>CCN(CC)C(=O)c1cc(ccc1F)c1cc(cc(c1)C(=O)NC(CC1CCCCC1)C(=O)NC)CN1CCN(CCCCc2ccccc2)CC1</td></tr><tr><td>InChi:</td><td>InChI=1S/C43H58FN5O3/c1-4-49(5-2)43(52)38-30-35(19-20-39(38)44)36-26-34(31-48-24-22-47(23-25-48)21-13-12-16-32-14-8-6-9-15-32)27-37(29-36)41(50)46-40(42(51)45-3)28-33-17-10-7-11-18-33/h6,8-9,14-15,19-20,26-27,29-30,33,40H,4-5,7,10-13,16-18,21-25,28,31H2,1-3H3,(H,45,51)(H,46,50)</td></tr><tr><td>Definition date:</td><td>2024-04-02</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(1P)-N~3'~-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N~3~,N~3~-diethyl-4-fluoro-5'-{[4-(4-phenylbutyl)piperazin-1-yl]methyl}[1,1'-biphenyl]-3,3'-dicarboxamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/X6N"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/X6N.svg" alt="X6N" title="X6N"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/X6N">X6N</a></td></tr><tr><td>Name:</td><td>[(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate</td></tr><tr><td>Formula:</td><td>C7 H15 O9 P</td></tr><tr><td>SMILES:</td><td>CO[CH]1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1O</td></tr><tr><td>InChi:</td><td>InChI=1S/C7H15O9P/c1-14-6-4(9)5(16-17(11,12)13)3(2-8)15-7(6)10/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4+,5-,6+,7?/m1/s1</td></tr><tr><td>Definition date:</td><td>2023-10-24</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>[(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1APF"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1APF.svg" alt="A1APF" title="A1APF"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1APF">A1APF</a></td></tr><tr><td>Name:</td><td>(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide</td></tr><tr><td>Formula:</td><td>C37 H45 N7 O3</td></tr><tr><td>SMILES:</td><td>Cn1cc(cn1)c1cnc(N)c(c1)C(=O)NC1CCCC1OCc1ccc(cc1)c1ccc(cc1)C(C)(C)N1CCN(CC=O)CC1</td></tr><tr><td>InChi:</td><td>InChI=1S/C37H45N7O3/c1-37(2,44-17-15-43(16-18-44)19-20-45)31-13-11-28(12-14-31)27-9-7-26(8-10-27)25-47-34-6-4-5-33(34)41-36(46)32-21-29(22-39-35(32)38)30-23-40-42(3)24-30/h7-14,20-24,33-34H,4-6,15-19,25H2,1-3H3,(H2,38,39)(H,41,46)/t33-,34+/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-04-22</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(5P)-2-amino-5-(1-methyl-1H-pyrazol-4-yl)-N-{(1R,2S)-2-[(4'-{2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl}[1,1'-biphenyl]-4-yl)methoxy]cyclopentyl}pyridine-3-carboxamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/WAW"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WAW.svg" alt="WAW" title="WAW"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WAW">WAW</a></td></tr><tr><td>Name:</td><td>N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide</td></tr><tr><td>Formula:</td><td>C22 H19 F N6 O</td></tr><tr><td>SMILES:</td><td>Fc1nccnc1N1Cc2ccccc2CC1CNC(=O)c1cccc2[NH]ncc12</td></tr><tr><td>InChi:</td><td>InChI=1S/C22H19FN6O/c23-20-21(25-9-8-24-20)29-13-15-5-2-1-4-14(15)10-16(29)11-26-22(30)17-6-3-7-19-18(17)12-27-28-19/h1-9,12,16H,10-11,13H2,(H,26,30)(H,27,28)/t16-/m0/s1</td></tr><tr><td>Definition date:</td><td>2023-09-29</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1AVU"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1AVU.svg" alt="A1AVU" title="A1AVU"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1AVU">A1AVU</a></td></tr><tr><td>Name:</td><td>(3S)-4-fluoro-L-valine</td></tr><tr><td>Formula:</td><td>C5 H10 F N O2</td></tr><tr><td>SMILES:</td><td>CC(CF)C(N)C(=O)O</td></tr><tr><td>InChi:</td><td>InChI=1S/C5H10FNO2/c1-3(2-6)4(7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)/t3-,4+/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-06-24</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(3S)-4-fluoro-L-valine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1BA2"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1BA2.svg" alt="A1BA2" title="A1BA2"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1BA2">A1BA2</a></td></tr><tr><td>Name:</td><td>(6R)-3,4-dichloro-6-hydroxycyclohex-3-en-1-one</td></tr><tr><td>Formula:</td><td>C6 H6 Cl2 O2</td></tr><tr><td>SMILES:</td><td>ClC=1CC(=O)C(O)CC=1Cl</td></tr><tr><td>InChi:</td><td>InChI=1S/C6H6Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h5,9H,1-2H2/t5-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-09-26</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(6R)-3,4-dichloro-6-hydroxycyclohex-3-en-1-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1BB6"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1BB6.svg" alt="A1BB6" title="A1BB6"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1BB6">A1BB6</a></td></tr><tr><td>Name:</td><td>3-chloro-6-(4-methylpiperazin-1-yl)-4-(pyridin-4-yl)pyridazine</td></tr><tr><td>Formula:</td><td>C14 H16 Cl N5</td></tr><tr><td>SMILES:</td><td>CN1CCN(CC1)c1nnc(Cl)c(c1)c1ccncc1</td></tr><tr><td>InChi:</td><td>InChI=1S/C14H16ClN5/c1-19-6-8-20(9-7-19)13-10-12(14(15)18-17-13)11-2-4-16-5-3-11/h2-5,10H,6-9H2,1H3</td></tr><tr><td>Definition date:</td><td>2024-10-03</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>3-chloro-6-(4-methylpiperazin-1-yl)-4-(pyridin-4-yl)pyridazine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1BB7"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1BB7.svg" alt="A1BB7" title="A1BB7"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1BB7">A1BB7</a></td></tr><tr><td>Name:</td><td>4-(pyridin-4-yl)pyridazine</td></tr><tr><td>Formula:</td><td>C9 H7 N3</td></tr><tr><td>SMILES:</td><td>c1cc(ccn1)c1cnncc1</td></tr><tr><td>InChi:</td><td>InChI=1S/C9H7N3/c1-4-10-5-2-8(1)9-3-6-11-12-7-9/h1-7H</td></tr><tr><td>Definition date:</td><td>2024-10-03</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>4-(pyridin-4-yl)pyridazine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1D5Y"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5Y.svg" alt="A1D5Y" title="A1D5Y"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1D5Y">A1D5Y</a></td></tr><tr><td>Name:</td><td>(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol</td></tr><tr><td>Formula:</td><td>C19 H24 N2 O S</td></tr><tr><td>SMILES:</td><td>C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1</td></tr><tr><td>InChi:</td><td>InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m0/s1</td></tr><tr><td>Definition date:</td><td>2024-02-04</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(1~{S})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1D5Z"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5Z.svg" alt="A1D5Z" title="A1D5Z"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1D5Z">A1D5Z</a></td></tr><tr><td>Name:</td><td>(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol</td></tr><tr><td>Formula:</td><td>C19 H24 N2 O S</td></tr><tr><td>SMILES:</td><td>C[CH](O)c1ccc2Sc3ccccc3N(CCCN(C)C)c2c1</td></tr><tr><td>InChi:</td><td>InChI=1S/C19H24N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13-14,22H,6,11-12H2,1-3H3/t14-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-02-04</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>(1~{R})-1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1IAU"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1IAU.svg" alt="A1IAU" title="A1IAU"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1IAU">A1IAU</a></td></tr><tr><td>Name:</td><td>2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid</td></tr><tr><td>Formula:</td><td>C13 H11 N O4</td></tr><tr><td>SMILES:</td><td>Nc1c(O)cc(cc1C(O)=O)c2cccc(O)c2</td></tr><tr><td>InChi:</td><td>InChI=1S/C13H11NO4/c14-12-10(13(17)18)5-8(6-11(12)16)7-2-1-3-9(15)4-7/h1-6,15-16H,14H2,(H,17,18)</td></tr><tr><td>Synonyms:</td><td>2-amino-3-hydroxy-5-(3-hydroxyphenyl)benzoic acid</td></tr><tr><td>Definition date:</td><td>2024-05-09</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>2-azanyl-5-(3-hydroxyphenyl)-3-oxidanyl-benzoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1IAV"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1IAV.svg" alt="A1IAV" title="A1IAV"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1IAV">A1IAV</a></td></tr><tr><td>Name:</td><td>2-azanyl-5-(4-fluorophenyl)benzoic acid</td></tr><tr><td>Formula:</td><td>C13 H10 F N O2</td></tr><tr><td>SMILES:</td><td>Nc1ccc(cc1C(O)=O)c2ccc(F)cc2</td></tr><tr><td>InChi:</td><td>InChI=1S/C13H10FNO2/c14-10-4-1-8(2-5-10)9-3-6-12(15)11(7-9)13(16)17/h1-7H,15H2,(H,16,17)</td></tr><tr><td>Synonyms:</td><td>2-amino-5-(4-fluorophenyl)benzoic acid</td></tr><tr><td>Definition date:</td><td>2024-05-09</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>2-azanyl-5-(4-fluorophenyl)benzoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1IAX"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1IAX.svg" alt="A1IAX" title="A1IAX"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1IAX">A1IAX</a></td></tr><tr><td>Name:</td><td>2-azanyl-3-nitro-benzoic acid</td></tr><tr><td>Formula:</td><td>C7 H6 N2 O4</td></tr><tr><td>SMILES:</td><td>Nc1c(cccc1[N+]([O-])=O)C(O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C7H6N2O4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,8H2,(H,10,11)</td></tr><tr><td>Synonyms:</td><td>2-amino-3-nitrobenzoic acid</td></tr><tr><td>Definition date:</td><td>2024-05-09</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>2-azanyl-3-nitro-benzoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1IAY"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1IAY.svg" alt="A1IAY" title="A1IAY"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1IAY">A1IAY</a></td></tr><tr><td>Name:</td><td>2-azanyl-5-(3-hydroxyphenyl)benzoic acid</td></tr><tr><td>Formula:</td><td>C13 H11 N O3</td></tr><tr><td>SMILES:</td><td>Nc1ccc(cc1C(O)=O)c2cccc(O)c2</td></tr><tr><td>InChi:</td><td>InChI=1S/C13H11NO3/c14-12-5-4-9(7-11(12)13(16)17)8-2-1-3-10(15)6-8/h1-7,15H,14H2,(H,16,17)</td></tr><tr><td>Synonyms:</td><td>2-amino-5-(3-hydroxyphenyl)benzoic acid</td></tr><tr><td>Definition date:</td><td>2024-05-09</td></tr><tr><td>Last modified:</td><td>2024-10-04</td></tr><tr><td>Release date:</td><td>2024-10-09</td></tr><tr><td>Identifier:</td><td>2-azanyl-5-(3-hydroxyphenyl)benzoic acid</td></tr></tbody></table></td></tr></tbody></table><div id="searchpaginator"><a href="/search/chemie?query=*&page=11&lang=en"><</a><a href="/search/chemie?query=*&page=5&lang=en">5</a><a href="/search/chemie?query=*&page=6&lang=en">6</a><a 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