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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/A1AFD"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1AFD.svg" alt="A1AFD" title="A1AFD"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1AFD">A1AFD</a></td></tr><tr><td>Name:</td><td>(5-bromopyridin-3-yl){4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone</td></tr><tr><td>Formula:</td><td>C23 H21 Br Cl N3 O</td></tr><tr><td>SMILES:</td><td>Brc1cc(cnc1)C(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccccc1</td></tr><tr><td>InChi:</td><td>InChI=1S/C23H21BrClN3O/c24-20-14-19(15-26-16-20)23(29)28-12-10-27(11-13-28)22(17-4-2-1-3-5-17)18-6-8-21(25)9-7-18/h1-9,14-16,22H,10-13H2/t22-/m0/s1</td></tr><tr><td>Definition date:</td><td>2024-02-23</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>(5-bromopyridin-3-yl){4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}methanone</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1AFE"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1AFE.svg" alt="A1AFE" title="A1AFE"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1AFE">A1AFE</a></td></tr><tr><td>Name:</td><td>11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione</td></tr><tr><td>Formula:</td><td>C27 H23 N3 O3 S</td></tr><tr><td>SMILES:</td><td>O=C(c1cncc2cc[NH]c21)N1CC/C(CC1)=C1/c2ccccc2S(=O)(=O)Cc2ccccc12</td></tr><tr><td>InChi:</td><td>InChI=1S/C27H23N3O3S/c31-27(23-16-28-15-19-9-12-29-26(19)23)30-13-10-18(11-14-30)25-21-6-2-1-5-20(21)17-34(32,33)24-8-4-3-7-22(24)25/h1-9,12,15-16,29H,10-11,13-14,17H2</td></tr><tr><td>Synonyms:</td><td>NZ-804</td></tr><tr><td>Definition date:</td><td>2024-02-23</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>11-[1-(1H-pyrrolo[3,2-c]pyridine-7-carbonyl)piperidin-4-ylidene]-6,11-dihydro-5H-5lambda~6~-dibenzo[b,e]thiepine-5,5-dione</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/VTY"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/VTY.svg" alt="VTY" title="VTY"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/VTY">VTY</a></td></tr><tr><td>Name:</td><td>(5S)-5-hydroxy-3-methylfuran-2(5H)-one</td></tr><tr><td>Formula:</td><td>C5 H6 O3</td></tr><tr><td>SMILES:</td><td>CC1=CC(OC1=O)O</td></tr><tr><td>InChi:</td><td>InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m0/s1</td></tr><tr><td>Definition date:</td><td>2020-09-14</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2022-02-16</td></tr><tr><td>Identifier:</td><td>(5S)-5-hydroxy-3-methylfuran-2(5H)-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1H0U"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1H0U.svg" alt="A1H0U" title="A1H0U"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1H0U">A1H0U</a></td></tr><tr><td>Name:</td><td>7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine</td></tr><tr><td>Formula:</td><td>C12 H15 N5 O</td></tr><tr><td>SMILES:</td><td>COc1ccc2NC3=NC(=NC(C)(C)N3c2c1)N</td></tr><tr><td>InChi:</td><td>InChI=1S/C12H15N5O/c1-12(2)16-10(13)15-11-14-8-5-4-7(18-3)6-9(8)17(11)12/h4-6H,1-3H3,(H3,13,14,15,16)</td></tr><tr><td>Definition date:</td><td>2023-12-18</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>7-methoxy-4,4-dimethyl-10~{H}-[1,3,5]triazino[1,2-a]benzimidazol-2-amine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1H0V"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1H0V.svg" alt="A1H0V" title="A1H0V"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1H0V">A1H0V</a></td></tr><tr><td>Name:</td><td>1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine</td></tr><tr><td>Formula:</td><td>C8 H7 Cl2 N5</td></tr><tr><td>SMILES:</td><td>NC(=N)Nc1[nH]c2cc(Cl)c(Cl)cc2n1</td></tr><tr><td>InChi:</td><td>InChI=1S/C8H7Cl2N5/c9-3-1-5-6(2-4(3)10)14-8(13-5)15-7(11)12/h1-2H,(H5,11,12,13,14,15)</td></tr><tr><td>Definition date:</td><td>2023-12-18</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>1-[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]guanidine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/5X6"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/5X6.svg" alt="5X6" title="5X6"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/5X6">5X6</a></td></tr><tr><td>Name:</td><td>Zeaxanthin</td></tr><tr><td>Formula:</td><td>C40 H56 O2</td></tr><tr><td>SMILES:</td><td>CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C[CH](O)CC2(C)C</td></tr><tr><td>InChi:</td><td>InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15?,30-16?,31-19+,32-20+/t35-,36-/m1/s1</td></tr><tr><td>Synonyms:</td><td>(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol</td></tr><tr><td>Definition date:</td><td>2015-12-17</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-02-14</td></tr><tr><td>Identifier:</td><td>(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1IGA"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1IGA.svg" alt="A1IGA" title="A1IGA"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1IGA">A1IGA</a></td></tr><tr><td>Name:</td><td>Lansoprazole sulfide</td></tr><tr><td>Formula:</td><td>C16 H14 F3 N3 O S</td></tr><tr><td>SMILES:</td><td>Cc1c(CSc2[nH]c3ccccc3n2)nccc1OCC(F)(F)F</td></tr><tr><td>InChi:</td><td>InChI=1S/C16H14F3N3OS/c1-10-13(20-7-6-14(10)23-9-16(17,18)19)8-24-15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)</td></tr><tr><td>Synonyms:</td><td>2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole</td></tr><tr><td>Definition date:</td><td>2024-06-27</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>2-[[3-methyl-4-[2,2,2-tris(fluoranyl)ethoxy]pyridin-2-yl]methylsulfanyl]-1~{H}-benzimidazole</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1LZV"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1LZV.svg" alt="A1LZV" title="A1LZV"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1LZV">A1LZV</a></td></tr><tr><td>Name:</td><td>[(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate</td></tr><tr><td>Formula:</td><td>C44 H81 N3 O15 P2</td></tr><tr><td>SMILES:</td><td>CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N)OC(=O)CCCCCCCCCCCCCCC</td></tr><tr><td>InChi:</td><td>InChI=1S/C44H81N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-03-29</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>[(2~{R})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/35L"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/35L.svg" alt="35L" title="35L"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/35L">35L</a></td></tr><tr><td>Name:</td><td>IRON/SULFUR CLUSTER</td></tr><tr><td>Formula:</td><td>Fe4 S4</td></tr><tr><td>SMILES:</td><td>S.[Fe]S[Fe]S[Fe]S[Fe]</td></tr><tr><td>InChi:</td><td>InChI=1S/4Fe.H2S.3S/h</td></tr><tr><td>Definition date:</td><td>2014-06-20</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-09-18</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/H3M"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/H3M.svg" alt="H3M" title="H3M"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/H3M">H3M</a></td></tr><tr><td>Name:</td><td>(5R)-5-hydroxy-3-methylfuran-2(5H)-one</td></tr><tr><td>Formula:</td><td>C5 H6 O3</td></tr><tr><td>SMILES:</td><td>O=C1OC(O)C=C1C</td></tr><tr><td>InChi:</td><td>InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,4,6H,1H3/t4-/m1/s1</td></tr><tr><td>Definition date:</td><td>2012-10-02</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2013-10-23</td></tr><tr><td>Identifier:</td><td>(5R)-5-hydroxy-3-methylfuran-2(5H)-one</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1A0I"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1A0I.svg" alt="A1A0I" title="A1A0I"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1A0I">A1A0I</a></td></tr><tr><td>Name:</td><td>5-(2-iodophenyl)-2H-tetrazole</td></tr><tr><td>Formula:</td><td>C7 H5 I N4</td></tr><tr><td>SMILES:</td><td>Ic1ccccc1c1n[NH]nn1</td></tr><tr><td>InChi:</td><td>InChI=1S/C7H5IN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)</td></tr><tr><td>Definition date:</td><td>2024-07-30</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>5-(2-iodophenyl)-2H-tetrazole</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1A1L"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1A1L.svg" alt="A1A1L" title="A1A1L"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1A1L">A1A1L</a></td></tr><tr><td>Name:</td><td>(4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)</td></tr><tr><td>Formula:</td><td>C26 H43 F N2 O6 S</td></tr><tr><td>SMILES:</td><td>CC(C)CC1CC2CNC(C2OCC1)C(=O)NC1C2OC(SCC(F)CC=CC1C)C(O)C(O)C2O</td></tr><tr><td>InChi:</td><td>InChI=1S/C26H43FN2O6S/c1-13(2)9-15-7-8-34-23-16(10-15)11-28-19(23)25(33)29-18-14(3)5-4-6-17(27)12-36-26-22(32)20(30)21(31)24(18)35-26/h4-5,13-24,26,28,30-32H,6-12H2,1-3H3,(H,29,33)/b5-4-/t14-,15+,16+,17-,18-,19+,20+,21-,22-,23-,24-,26-/m1/s1</td></tr><tr><td>Definition date:</td><td>2024-08-08</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>(4S,5aS,8S,8aR)-N-[(1R,4R,6Z,8R,9R,10R,11R,12S,13R)-4-fluoro-11,12,13-trihydroxy-8-methyl-14-oxa-2-thiabicyclo[8.3.1]tetradec-6-en-9-yl]-4-(2-methylpropyl)octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name)</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1H0W"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1H0W.svg" alt="A1H0W" title="A1H0W"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1H0W">A1H0W</a></td></tr><tr><td>Name:</td><td>1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine</td></tr><tr><td>Formula:</td><td>C9 H11 N5 O</td></tr><tr><td>SMILES:</td><td>COc1ccc2[nH]c(NC(N)=N)nc2c1</td></tr><tr><td>InChi:</td><td>InChI=1S/C9H11N5O/c1-15-5-2-3-6-7(4-5)13-9(12-6)14-8(10)11/h2-4H,1H3,(H5,10,11,12,13,14)</td></tr><tr><td>Synonyms:</td><td>O-PHOSPHONO-D-THREONINE</td></tr><tr><td>Definition date:</td><td>2023-12-18</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>1-(5-methoxy-1~{H}-benzimidazol-2-yl)guanidine</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1H1Z"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1H1Z.svg" alt="A1H1Z" title="A1H1Z"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1H1Z">A1H1Z</a></td></tr><tr><td>Name:</td><td>[1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate</td></tr><tr><td>Formula:</td><td>C49 H77 N13 O14</td></tr><tr><td>SMILES:</td><td>CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)OCc1cn(CCOCCOCCOCCNC(=O)CN(c2ccccn2)c3ccccn3)nn1</td></tr><tr><td>InChi:</td><td>InChI=1S/C49H77N13O14/c1-40(63)60(70)27-12-2-7-23-52-44(64)17-19-47(67)61(71)28-13-3-8-24-53-45(65)18-20-48(68)62(72)29-14-4-9-25-55-49(69)76-39-41-37-58(57-56-41)30-32-74-34-36-75-35-33-73-31-26-54-46(66)38-59(42-15-5-10-21-50-42)43-16-6-11-22-51-43/h5-6,10-11,15-16,21-22,37,70-72H,2-4,7-9,12-14,17-20,23-36,38-39H2,1H3,(H,52,64)(H,53,65)(H,54,66)(H,55,69)</td></tr><tr><td>Definition date:</td><td>2024-01-09</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>[1-[2-[2-[2-[2-[2-(dipyridin-2-ylamino)ethanoylamino]ethoxy]ethoxy]ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl ~{N}-[5-[[4-[5-[[4-[5-[ethanoyl(oxidanyl)amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentylamino]-4-oxidanylidene-butanoyl]-oxidanyl-amino]pentyl]carbamate</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1IQS"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1IQS.svg" alt="A1IQS" title="A1IQS"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1IQS">A1IQS</a></td></tr><tr><td>Name:</td><td>7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione</td></tr><tr><td>Formula:</td><td>C25 H31 N7 O5</td></tr><tr><td>SMILES:</td><td>CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)C[C]3(C)O)C(=O)[CH](N)Cc4c[nH]c5ccccc45)c2C1=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C25H31N7O5/c1-25(37)9-15(33)11-31(22(34)17(26)8-14-10-27-18-7-5-4-6-16(14)18)12-19(25)32-13-28-21-20(32)23(35)30(3)24(36)29(21)2/h4-7,10,13,15,17,19,27,33,37H,8-9,11-12,26H2,1-3H3/t15?,17?,19?,25-/m0/s1</td></tr><tr><td>Definition date:</td><td>2024-10-02</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1LWG"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1LWG.svg" alt="A1LWG" title="A1LWG"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1LWG">A1LWG</a></td></tr><tr><td>Name:</td><td>(2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid</td></tr><tr><td>Formula:</td><td>C13 H16 N2 O2</td></tr><tr><td>SMILES:</td><td>C[CH](NCCc1c[nH]c2ccccc12)C(O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C13H16N2O2/c1-9(13(16)17)14-7-6-10-8-15-12-5-3-2-4-11(10)12/h2-5,8-9,14-15H,6-7H2,1H3,(H,16,17)</td></tr><tr><td>Definition date:</td><td>2024-01-15</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>(2~{R})-2-[2-(1~{H}-indol-3-yl)ethylamino]propanoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/A1LXP"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/A1LXP.svg" alt="A1LXP" title="A1LXP"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/A1LXP">A1LXP</a></td></tr><tr><td>Name:</td><td>(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol</td></tr><tr><td>Formula:</td><td>C40 H56 O2</td></tr><tr><td>SMILES:</td><td>CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C</td></tr><tr><td>InChi:</td><td>InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1</td></tr><tr><td>Definition date:</td><td>2024-02-03</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>(1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/CW3"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/CW3.svg" alt="CW3" title="CW3"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/CW3">CW3</a></td></tr><tr><td>Name:</td><td>3-nitro-4-(propylamino)benzoic acid</td></tr><tr><td>Formula:</td><td>C10 H12 N2 O4</td></tr><tr><td>SMILES:</td><td>CCCNc1ccc(cc1[N+]([O-])=O)C(O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C10H12N2O4/c1-2-5-11-8-4-3-7(10(13)14)6-9(8)12(15)16/h3-4,6,11H,2,5H2,1H3,(H,13,14)</td></tr><tr><td>Synonyms:</td><td>68740-31-8</td></tr><tr><td>Definition date:</td><td>2023-05-23</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>3-nitro-4-(propylamino)benzoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/HHU"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/HHU.svg" alt="HHU" title="HHU"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/HHU">HHU</a></td></tr><tr><td>Name:</td><td>[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate</td></tr><tr><td>Formula:</td><td>C10 H14 N3 O9 P</td></tr><tr><td>SMILES:</td><td>O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1NC=O)N2C=CC(=O)NC2=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C10H14N3O9P/c14-4-11-7-8(16)5(3-21-23(18,19)20)22-9(7)13-2-1-6(15)12-10(13)17/h1-2,4-5,7-9,16H,3H2,(H,11,14)(H,12,15,17)(H2,18,19,20)/t5-,7-,8-,9-/m1/s1</td></tr><tr><td>Definition date:</td><td>2021-01-13</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-formamido-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/K5O"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/K5O.svg" alt="K5O" title="K5O"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/K5O">K5O</a></td></tr><tr><td>Name:</td><td>Ziftomenib</td></tr><tr><td>Formula:</td><td>C33 H42 F3 N9 O2 S2</td></tr><tr><td>SMILES:</td><td>CS(=O)(=O)N1CCN(CC1)C(C)Cn1c2ccc(CN3CCC(CC3)Nc3nc(nc4sc(cc34)CC(F)(F)F)NC)c(C)c2cc1C#N</td></tr><tr><td>InChi:</td><td>InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1</td></tr><tr><td>Definition date:</td><td>2023-06-02</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>1-{(2S)-2-[4-(methanesulfonyl)piperazin-1-yl]propyl}-4-methyl-5-[(4-{[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/OO0"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/OO0.svg" alt="OO0" title="OO0"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/OO0">OO0</a></td></tr><tr><td>Name:</td><td>ALLIIN</td></tr><tr><td>Formula:</td><td>C6 H11 N O3 S</td></tr><tr><td>SMILES:</td><td>N[CH](C[S](=O)CC=C)C(O)=O</td></tr><tr><td>InChi:</td><td>InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1</td></tr><tr><td>Synonyms:</td><td>2-azanyl-3-prop-2-enylsulfinyl-propanoic acid</td></tr><tr><td>Definition date:</td><td>2024-01-22</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>2-azanyl-3-prop-2-enylsulfinyl-propanoic acid</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/WT6"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WT6.svg" alt="WT6" title="WT6"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WT6">WT6</a></td></tr><tr><td>Name:</td><td>~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide</td></tr><tr><td>Formula:</td><td>C13 H16 N2 O3 S</td></tr><tr><td>SMILES:</td><td>C=CC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2</td></tr><tr><td>InChi:</td><td>InChI=1S/C13H16N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16)</td></tr><tr><td>Definition date:</td><td>2023-05-18</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/WTB"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WTB.svg" alt="WTB" title="WTB"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WTB">WTB</a></td></tr><tr><td>Name:</td><td>(2~{S})-~{N}-(3-methoxyphenyl)-1-[4-(prop-2-enoylamino)phenyl]sulfonyl-pyrrolidine-2-carboxamide</td></tr><tr><td>Formula:</td><td>C21 H23 N3 O5 S</td></tr><tr><td>SMILES:</td><td>COc1cccc(NC(=O)[CH]2CCCN2[S](=O)(=O)c3ccc(NC(=O)C=C)cc3)c1</td></tr><tr><td>InChi:</td><td>InChI=1S/C21H23N3O5S/c1-3-20(25)22-15-9-11-18(12-10-15)30(27,28)24-13-5-8-19(24)21(26)23-16-6-4-7-17(14-16)29-2/h3-4,6-7,9-12,14,19H,1,5,8,13H2,2H3,(H,22,25)(H,23,26)/t19-/m0/s1</td></tr><tr><td>Definition date:</td><td>2023-05-18</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>(2~{S})-~{N}-(3-methoxyphenyl)-1-[4-(prop-2-enoylamino)phenyl]sulfonyl-pyrrolidine-2-carboxamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/WTK"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WTK.svg" alt="WTK" title="WTK"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WTK">WTK</a></td></tr><tr><td>Name:</td><td>~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide</td></tr><tr><td>Formula:</td><td>C14 H20 N2 O4 S</td></tr><tr><td>SMILES:</td><td>CCC(=O)Nc1ccc(c(OC)c1)[S](=O)(=O)N2CCCC2</td></tr><tr><td>InChi:</td><td>InChI=1S/C14H20N2O4S/c1-3-14(17)15-11-6-7-13(12(10-11)20-2)21(18,19)16-8-4-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,15,17)</td></tr><tr><td>Synonyms:</td><td>WT6</td></tr><tr><td>Definition date:</td><td>2023-05-18</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>~{N}-(3-methoxy-4-pyrrolidin-1-ylsulfonyl-phenyl)propanamide</td></tr></tbody></table></td></tr><tr><td><a href="/chemie/summary/WTU"><img loading="lazy" src="https://data.pdbj.org/pdbjplus/data/cc/svg/WTU.svg" alt="WTU" title="WTU"></a></td><td><table><tbody><tr><td colspan="2"><a href="/chemie/summary/WTU">WTU</a></td></tr><tr><td>Name:</td><td>~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide</td></tr><tr><td>Formula:</td><td>C13 H18 N2 O3 S</td></tr><tr><td>SMILES:</td><td>CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCCC2</td></tr><tr><td>InChi:</td><td>InChI=1S/C13H18N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)</td></tr><tr><td>Synonyms:</td><td>WT6</td></tr><tr><td>Definition date:</td><td>2023-05-18</td></tr><tr><td>Last modified:</td><td>2024-11-15</td></tr><tr><td>Release date:</td><td>2024-11-20</td></tr><tr><td>Identifier:</td><td>~{N}-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide</td></tr></tbody></table></td></tr></tbody></table><div id="searchpaginator"><p> </p><b>1</b><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><a 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