![ZNL ZNL](https://data.pdbj.org/pdbjplus/data/cc/svg/ZNL.svg) | ZNL | Name: | N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide | Formula: | C25 H27 N5 O3 S | SMILES: | O=C(Nc1nc2cccc(C)c2n1C1CCCCN(C1)C(=O)C=C)c1cc(NC(=O)C=C)sc1 | InChi: | InChI=1S/C25H27N5O3S/c1-4-20(31)27-21-13-17(15-34-21)24(33)28-25-26-19-11-8-9-16(3)23(19)30(25)18-10-6-7-12-29(14-18)22(32)5-2/h4-5,8-9,11,13,15,18H,1-2,6-7,10,12,14H2,3H3,(H,27,31)(H,26,28,33)/t18-/m0/s1 | Definition date: | 2022-09-28 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide |
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![P73 P73](https://data.pdbj.org/pdbjplus/data/cc/svg/P73.svg) | P73 | Name: | 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea | Formula: | C15 H15 Br2 N3 O | SMILES: | CC(C)c1cc(Br)c(NC(=O)Nc2cccnc2)c(Br)c1 | InChi: | InChI=1S/C15H15Br2N3O/c1-9(2)10-6-12(16)14(13(17)7-10)20-15(21)19-11-4-3-5-18-8-11/h3-9H,1-2H3,(H2,19,20,21) | Definition date: | 2023-03-04 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 1-[2,6-bis(bromanyl)-4-propan-2-yl-phenyl]-3-pyridin-3-yl-urea |
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![ZOI ZOI](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOI.svg) | ZOI | Name: | N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea | Formula: | C19 H21 N5 O3 | SMILES: | COC1(CCOC1)c1nc(ccc1)c1cn(C)c2cnc(NC(N)=O)cc21 | InChi: | InChI=1S/C19H21N5O3/c1-24-10-13(12-8-17(23-18(20)25)21-9-15(12)24)14-4-3-5-16(22-14)19(26-2)6-7-27-11-19/h3-5,8-10H,6-7,11H2,1-2H3,(H3,20,21,23,25)/t19-/m0/s1 | Definition date: | 2023-06-29 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea |
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![ZOQ ZOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOQ.svg) | ZOQ | Name: | N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide | Formula: | C19 H20 N4 O3 S | SMILES: | CN(C)S(=O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)C1CC1 | InChi: | InChI=1S/C19H20N4O3S/c1-23(2)27(25,26)14-5-3-4-13(8-14)16-10-20-17-11-21-18(9-15(16)17)22-19(24)12-6-7-12/h3-5,8-12,20H,6-7H2,1-2H3,(H,21,22,24) | Definition date: | 2023-06-29 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide |
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![UIT UIT](https://data.pdbj.org/pdbjplus/data/cc/svg/UIT.svg) | UIT | Name: | (2R)-2-oxidanyloctanoic acid | Formula: | C8 H16 O3 | SMILES: | CCCCCC[CH](O)C(O)=O | InChi: | InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m1/s1 | Definition date: | 2023-06-03 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (2~{R})-2-oxidanyloctanoic acid |
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![WQ6 WQ6](https://data.pdbj.org/pdbjplus/data/cc/svg/WQ6.svg) | WQ6 | Name: | (2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone | Formula: | C20 H27 N5 O3 S | SMILES: | O=S(C)(=O)N1CCC(Nc2nc3cc(ccc3cn2)C(=O)N2CCCC2C)CC1 | InChi: | InChI=1S/C20H27N5O3S/c1-14-4-3-9-25(14)19(26)15-5-6-16-13-21-20(23-18(16)12-15)22-17-7-10-24(11-8-17)29(2,27)28/h5-6,12-14,17H,3-4,7-11H2,1-2H3,(H,21,22,23)/t14-/m0/s1 | Definition date: | 2022-10-12 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone |
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![WQK WQK](https://data.pdbj.org/pdbjplus/data/cc/svg/WQK.svg) | WQK | Name: | N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide | Formula: | C22 H25 N5 O3 S | SMILES: | CC1CCCN1C(=O)c1cc2nc(Nc3ccc(cc3C)S(=O)(=O)NC)ncc2cc1 | InChi: | InChI=1S/C22H25N5O3S/c1-14-11-18(31(29,30)23-3)8-9-19(14)25-22-24-13-17-7-6-16(12-20(17)26-22)21(28)27-10-4-5-15(27)2/h6-9,11-13,15,23H,4-5,10H2,1-3H3,(H,24,25,26)/t15-/m0/s1 | Definition date: | 2022-10-13 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | N,3-dimethyl-4-({7-[(2S)-2-methylpyrrolidine-1-carbonyl]quinazolin-2-yl}amino)benzene-1-sulfonamide |
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![VDG VDG](https://data.pdbj.org/pdbjplus/data/cc/svg/VDG.svg) | VDG | Name: | (2S)-2-[[(2S,3S,4S)-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2R,3S,4R,5R)-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid | Formula: | C17 H25 N5 O13 | SMILES: | N[CH]([CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[CH]([CH](O)[CH]1O)N2C=C(CO)C(=O)NC2=O)C(O)=O | InChi: | InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1 | Definition date: | 2023-07-19 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (2~{S})-2-[[(2~{S},3~{S},4~{S})-5-aminocarbonyloxy-2-azanyl-3,4-bis(oxidanyl)pentanoyl]amino]-2-[(2~{R},3~{S},4~{R},5~{R})-5-[5-(hydroxymethyl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]ethanoic acid |
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![XOQ XOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/XOQ.svg) | XOQ | Name: | 1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine | Formula: | C23 H29 N5 O | SMILES: | Cc1nn(C)c(C)c1CCOc1cccnc1c1cccc(c1)N1CCNCC1 | InChi: | InChI=1S/C23H29N5O/c1-17-21(18(2)27(3)26-17)9-15-29-22-8-5-10-25-23(22)19-6-4-7-20(16-19)28-13-11-24-12-14-28/h4-8,10,16,24H,9,11-15H2,1-3H3 | Definition date: | 2022-12-03 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 1-[(3M)-3-{3-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]pyridin-2-yl}phenyl]piperazine |
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![PQL PQL](https://data.pdbj.org/pdbjplus/data/cc/svg/PQL.svg) | PQL | Name: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide | Formula: | C22 H30 F3 N5 O4 S2 | SMILES: | CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1CC2(C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2 | InChi: | InChI=1S/C22H30F3N5O4S2/c1-20(2,3)15(29-19(34)22(23,24)25)18(33)30-11-21(35-6-7-36-21)9-14(30)17(32)28-13(10-26)8-12-4-5-27-16(12)31/h12-15H,4-9,11H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t12-,13-,14-,15+/m0/s1 | Definition date: | 2023-03-06 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
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![XRB XRB](https://data.pdbj.org/pdbjplus/data/cc/svg/XRB.svg) | XRB | Name: | 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile | Formula: | C27 H27 N7 O3 S | SMILES: | O=S(C)(=O)N1CCN(CC1)c1ccc(Nc2nc(Oc3c(C)cc(C=CC#N)cc3C)ccn2)cc1C#N | InChi: | InChI=1S/C27H27N7O3S/c1-19-15-21(5-4-9-28)16-20(2)26(19)37-25-8-10-30-27(32-25)31-23-6-7-24(22(17-23)18-29)33-11-13-34(14-12-33)38(3,35)36/h4-8,10,15-17H,11-14H2,1-3H3,(H,30,31,32)/b5-4+ | Definition date: | 2022-12-06 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile |
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![ZVJ ZVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ZVJ.svg) | ZVJ | Name: | Fenoterol | Formula: | C17 H21 N O4 | SMILES: | Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc(O)cc1 | InChi: | InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3/t11-,17+/m0/s1 | Definition date: | 2023-04-06 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 5-[(1S)-1-hydroxy-2-{[(2S)-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl]benzene-1,3-diol |
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![ZWD ZWD](https://data.pdbj.org/pdbjplus/data/cc/svg/ZWD.svg) | ZWD | Name: | N-(4-aminobenzoyl)glycine | Formula: | C9 H10 N2 O3 | SMILES: | O=C(NCC(=O)O)c1ccc(N)cc1 | InChi: | InChI=1S/C9H10N2O3/c10-7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5,10H2,(H,11,14)(H,12,13) | Synonyms: | Para-aminohippuric acid | Definition date: | 2023-04-10 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | N-(4-aminobenzoyl)glycine |
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![XU0 XU0](https://data.pdbj.org/pdbjplus/data/cc/svg/XU0.svg) | XU0 | Name: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine | Formula: | C13 H12 Br N7 S | SMILES: | Brc1ncn(C)c1C1=CN(CCS1)c1ncnc2nc[NH]c12 | InChi: | InChI=1S/C13H12BrN7S/c1-20-7-19-11(14)10(20)8-4-21(2-3-22-8)13-9-12(16-5-15-9)17-6-18-13/h4-7H,2-3H2,1H3,(H,15,16,17,18) | Definition date: | 2022-12-07 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine |
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![N1K N1K](https://data.pdbj.org/pdbjplus/data/cc/svg/N1K.svg) | N1K | Name: | N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide | Formula: | C15 H19 N7 O | SMILES: | CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C | InChi: | InChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23) | Definition date: | 2023-01-06 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | ~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide |
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![OZ6 OZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/OZ6.svg) | OZ6 | Name: | (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide | Formula: | C26 H43 N5 O5 | SMILES: | CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C=O)C2(C)C)C(C)(C)C | InChi: | InChI=1S/C26H43N5O5/c1-24(2,3)19(29-23(36)30-25(4,5)6)22(35)31-12-16-17(26(16,7)8)18(31)21(34)28-15(13-32)11-14-9-10-27-20(14)33/h13-19H,9-12H2,1-8H3,(H,27,33)(H,28,34)(H2,29,30,36)/t14-,15-,16-,17-,18-,19+/m0/s1 | Definition date: | 2023-02-28 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide |
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![OZB OZB](https://data.pdbj.org/pdbjplus/data/cc/svg/OZB.svg) | OZB | Name: | (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide | Formula: | C24 H34 F N5 O4 S2 | SMILES: | CC(C)(C)[CH](NC(=O)C1(F)CC1)C(=O)N2CC3(C[CH]2C(=O)N[CH](C[CH]4CCNC4=O)C#N)SCCS3 | InChi: | InChI=1S/C24H34FN5O4S2/c1-22(2,3)17(29-21(34)23(25)5-6-23)20(33)30-13-24(35-8-9-36-24)11-16(30)19(32)28-15(12-26)10-14-4-7-27-18(14)31/h14-17H,4-11,13H2,1-3H3,(H,27,31)(H,28,32)(H,29,34)/t14-,15-,16-,17+/m0/s1 | Definition date: | 2023-02-28 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
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![OZL OZL](https://data.pdbj.org/pdbjplus/data/cc/svg/OZL.svg) | OZL | Name: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide | Formula: | C25 H40 N6 O4 S2 | SMILES: | CC(C)(C)NC(=O)N[CH](C(=O)N1CC2(C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2)C(C)(C)C | InChi: | InChI=1S/C25H40N6O4S2/c1-23(2,3)18(29-22(35)30-24(4,5)6)21(34)31-14-25(36-9-10-37-25)12-17(31)20(33)28-16(13-26)11-15-7-8-27-19(15)32/h15-18H,7-12,14H2,1-6H3,(H,27,32)(H,28,33)(H2,29,30,35)/t15-,16-,17-,18+/m0/s1 | Definition date: | 2023-02-28 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide |
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![KWI KWI](https://data.pdbj.org/pdbjplus/data/cc/svg/KWI.svg) | KWI | Name: | 1-[(2-chlorophenyl)methyl]-3-methyl-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide | Formula: | C18 H16 Cl N7 O2 | SMILES: | Cn1nnnc1NC(=O)c2cccc3N(Cc4ccccc4Cl)C(=O)N(C)c23 | InChi: | InChI=1S/C18H16ClN7O2/c1-24-15-12(16(27)20-17-21-22-23-25(17)2)7-5-9-14(15)26(18(24)28)10-11-6-3-4-8-13(11)19/h3-9H,10H2,1-2H3,(H,20,21,23,27) | Definition date: | 2022-10-25 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 1-[(2-chlorophenyl)methyl]-3-methyl-~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-oxidanylidene-benzimidazole-4-carboxamide |
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![1HI 1HI](https://data.pdbj.org/pdbjplus/data/cc/svg/1HI.svg) | 1HI | Name: | 2-[(3S)-piperidin-3-yl]-1,3-benzoxazole | Formula: | C12 H14 N2 O | SMILES: | C1CNC[CH](C1)c2oc3ccccc3n2 | InChi: | InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m0/s1 | Definition date: | 2022-10-13 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 2-[(3~{S})-piperidin-3-yl]-1,3-benzoxazole |
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![1IE 1IE](https://data.pdbj.org/pdbjplus/data/cc/svg/1IE.svg) | 1IE | Name: | ~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine | Formula: | C19 H16 N2 S | SMILES: | CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1 | InChi: | InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3 | Definition date: | 2022-10-13 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | ~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine |
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![E47 E47](https://data.pdbj.org/pdbjplus/data/cc/svg/E47.svg) | E47 | Name: | 5-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde | Formula: | C17 H16 N4 O3 | SMILES: | Oc1ccc(cc1C=O)c2c[nH]c3ncnc(N4CCOCC4)c23 | InChi: | InChI=1S/C17H16N4O3/c22-9-12-7-11(1-2-14(12)23)13-8-18-16-15(13)17(20-10-19-16)21-3-5-24-6-4-21/h1-2,7-10,23H,3-6H2,(H,18,19,20) | Definition date: | 2023-06-13 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 5-(4-morpholin-4-yl-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-benzaldehyde |
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![I0U I0U](https://data.pdbj.org/pdbjplus/data/cc/svg/I0U.svg) | I0U | Name: | 5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one | Formula: | C22 H25 Br N4 O2 | SMILES: | CN1C=C(C=C(C)C1=O)c2nc3cc(Br)ccc3n2C[CH]4CCCN(C4)C(C)=O | InChi: | InChI=1S/C22H25BrN4O2/c1-14-9-17(13-25(3)22(14)29)21-24-19-10-18(23)6-7-20(19)27(21)12-16-5-4-8-26(11-16)15(2)28/h6-7,9-10,13,16H,4-5,8,11-12H2,1-3H3/t16-/m1/s1 | Definition date: | 2023-07-25 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one |
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![I0Z I0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/I0Z.svg) | I0Z | Name: | 1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one | Formula: | C29 H39 N5 O2 | SMILES: | CC(C)N1CCC(CC1)C(=O)N2CCC[CH](C2)Cn3c4ccccc4nc3C5=CN(C)C(=O)C(=C5)C | InChi: | InChI=1S/C29H39N5O2/c1-20(2)32-14-11-23(12-15-32)29(36)33-13-7-8-22(17-33)18-34-26-10-6-5-9-25(26)30-27(34)24-16-21(3)28(35)31(4)19-24/h5-6,9-10,16,19-20,22-23H,7-8,11-15,17-18H2,1-4H3/t22-/m1/s1 | Definition date: | 2023-07-25 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | 1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one |
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![JYF JYF](https://data.pdbj.org/pdbjplus/data/cc/svg/JYF.svg) | JYF | Name: | (~{Z})-1,2-bis(chloranyl)ethene | Formula: | C2 H2 Cl2 | SMILES: | ClC=CCl | InChi: | InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1- | Definition date: | 2023-08-10 | Last modified: | 2023-10-13 | Release date: | 2023-10-18 | Identifier: | (~{Z})-1,2-bis(chloranyl)ethene |
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