![DVJ DVJ](https://data.pdbj.org/pdbjplus/data/cc/svg/DVJ.svg) | DVJ | Name: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide | Formula: | C28 H27 N7 O3 S | SMILES: | C1CN(C)Cc2cc(nn12)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c6cc5ccccc5s6 | InChi: | InChI=1S/C28H27N7O3S/c1-34-10-11-35-18(16-34)14-26(33-35)29-23-15-22(31-32-27(23)37)19-6-4-7-21(20(19)9-12-36)30-28(38)25-13-17-5-2-3-8-24(17)39-25/h2-8,13-15,36H,9-12,16H2,1H3,(H,30,38)(H,32,37)(H,29,31,33) | Definition date: | 2017-11-09 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide |
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![DW4 DW4](https://data.pdbj.org/pdbjplus/data/cc/svg/DW4.svg) | DW4 | Name: | benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate | Formula: | C29 H41 N7 O6 | SMILES: | C(OCc1ccccc1)(=O)NC2C(=O)NC(C(NC(CCC(NCCn3cc(C2)nn3)=O)CO)=O)CC4CCCCC4 | InChi: | InChI=1S/C29H41N7O6/c37-18-22-11-12-26(38)30-13-14-36-17-23(34-35-36)16-25(33-29(41)42-19-21-9-5-2-6-10-21)28(40)32-24(27(39)31-22)15-20-7-3-1-4-8-20/h2,5-6,9-10,17,20,22,24-25,37H,1,3-4,7-8,11-16,18-19H2,(H,30,38)(H,31,39)(H,32,40)(H,33,41)/t22-,24-,25-/m0/s1 | Definition date: | 2017-11-09 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | benzyl [(8S,11S,14S)-11-(cyclohexylmethyl)-8-(hydroxymethyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate |
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![DW7 DW7](https://data.pdbj.org/pdbjplus/data/cc/svg/DW7.svg) | DW7 | Name: | benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate | Formula: | C30 H43 N7 O6 | SMILES: | C(OCc1ccccc1)(=O)NC2Cc4cn(CCCNC(CCC(NC(C(NC2=O)CC3CCCCC3)=O)CO)=O)nn4 | InChi: | InChI=1S/C30H43N7O6/c38-19-23-12-13-27(39)31-14-7-15-37-18-24(35-36-37)17-26(34-30(42)43-20-22-10-5-2-6-11-22)29(41)33-25(28(40)32-23)16-21-8-3-1-4-9-21/h2,5-6,10-11,18,21,23,25-26,38H,1,3-4,7-9,12-17,19-20H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)/t23-,25-,26-/m0/s1 | Definition date: | 2017-11-09 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | benzyl [(9S,12S,15S)-12-(cyclohexylmethyl)-9-(hydroxymethyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate |
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![DXM DXM](https://data.pdbj.org/pdbjplus/data/cc/svg/DXM.svg) | DXM | Name: | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | Formula: | C25 H24 F2 N6 O2 S | SMILES: | C1=C(C(=O)N(C)N=C1c2ccc(c(c2F)NC(=O)c3cc4c(s3)CCCC4)F)Nc5nn(C)c(c5)C | InChi: | InChI=1S/C25H24F2N6O2S/c1-13-10-21(31-32(13)2)28-18-12-17(30-33(3)25(18)35)15-8-9-16(26)23(22(15)27)29-24(34)20-11-14-6-4-5-7-19(14)36-20/h8-12H,4-7H2,1-3H3,(H,28,31)(H,29,34) | Definition date: | 2017-11-10 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
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![DY4 DY4](https://data.pdbj.org/pdbjplus/data/cc/svg/DY4.svg) | DY4 | Name: | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide | Formula: | C24 H22 F2 N6 O2 S | SMILES: | C=4C(c3c(c(NC(c2cc1c(CCCC1)s2)=O)c(F)cc3)F)=NNC(C=4Nc5nn(C)c(c5)C)=O | InChi: | InChI=1S/C24H22F2N6O2S/c1-12-9-20(31-32(12)2)27-17-11-16(29-30-23(17)33)14-7-8-15(25)22(21(14)26)28-24(34)19-10-13-5-3-4-6-18(13)35-19/h7-11H,3-6H2,1-2H3,(H,28,34)(H,30,33)(H,27,29,31) | Definition date: | 2017-11-13 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
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![F0Q F0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/F0Q.svg) | F0Q | Name: | 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea | Formula: | C23 H27 Br N8 O2 | SMILES: | Cn1nnc(CN(Cc2ccc(N)cc2)C(=O)NCC(=O)N3CCC[CH]3c4ccccc4Br)n1 | InChi: | InChI=1S/C23H27BrN8O2/c1-30-28-21(27-29-30)15-31(14-16-8-10-17(25)11-9-16)23(34)26-13-22(33)32-12-4-7-20(32)18-5-2-3-6-19(18)24/h2-3,5-6,8-11,20H,4,7,12-15,25H2,1H3,(H,26,34)/t20-/m1/s1 | Definition date: | 2018-05-16 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 1-[(4-aminophenyl)methyl]-3-[2-[(2~{R})-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-1-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]urea |
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![F0T F0T](https://data.pdbj.org/pdbjplus/data/cc/svg/F0T.svg) | F0T | Name: | ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate | Formula: | C16 H23 N3 O3 | SMILES: | CCOC(=O)CNC(=O)N(CC1CC1)Cc2ccc(N)cc2 | InChi: | InChI=1S/C16H23N3O3/c1-2-22-15(20)9-18-16(21)19(10-12-3-4-12)11-13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11,17H2,1H3,(H,18,21) | Definition date: | 2018-05-16 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate |
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![F0W F0W](https://data.pdbj.org/pdbjplus/data/cc/svg/F0W.svg) | F0W | Name: | ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate | Formula: | C15 H21 N7 O3 | SMILES: | CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2nnn(C)n2 | InChi: | InChI=1S/C15H21N7O3/c1-3-25-14(23)8-17-15(24)22(10-13-18-20-21(2)19-13)9-11-4-6-12(16)7-5-11/h4-7H,3,8-10,16H2,1-2H3,(H,17,24) | Definition date: | 2018-05-16 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | ethyl 2-[[(4-aminophenyl)methyl-[(2-methyl-1,2,3,4-tetrazol-5-yl)methyl]carbamoyl]amino]ethanoate |
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![F1E F1E](https://data.pdbj.org/pdbjplus/data/cc/svg/F1E.svg) | F1E | Name: | ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate | Formula: | C16 H22 N6 O3 | SMILES: | CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2 | InChi: | InChI=1S/C16H22N6O3/c1-3-25-15(23)8-18-16(24)22(11-14-10-21(2)20-19-14)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11,17H2,1-2H3,(H,18,24) | Definition date: | 2018-05-16 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate |
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![F1Q F1Q](https://data.pdbj.org/pdbjplus/data/cc/svg/F1Q.svg) | F1Q | Name: | ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate | Formula: | C14 H19 N7 O3 | SMILES: | CCOC(=O)CNC(=O)N(Cc1[nH]nnn1)Cc2ccc(N)cc2 | InChi: | InChI=1S/C14H19N7O3/c1-2-24-13(22)7-16-14(23)21(9-12-17-19-20-18-12)8-10-3-5-11(15)6-4-10/h3-6H,2,7-9,15H2,1H3,(H,16,23)(H,17,18,19,20) | Definition date: | 2018-05-16 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | ethyl 2-[[(4-aminophenyl)methyl-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)carbamoyl]amino]ethanoate |
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![F1Z F1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/F1Z.svg) | F1Z | Name: | ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate | Formula: | C15 H19 N3 O3 | SMILES: | CCOC(=O)CNC(=O)N(CC#C)Cc1ccc(N)cc1 | InChi: | InChI=1S/C15H19N3O3/c1-3-9-18(11-12-5-7-13(16)8-6-12)15(20)17-10-14(19)21-4-2/h1,5-8H,4,9-11,16H2,2H3,(H,17,20) | Definition date: | 2018-05-17 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynyl-carbamoyl]amino]ethanoate |
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![F3Q F3Q](https://data.pdbj.org/pdbjplus/data/cc/svg/F3Q.svg) | F3Q | Name: | ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | Formula: | C43 H42 N4 O6 | SMILES: | Oc1ccc(cc1)N(C(=O)c2cc(n3CCCCc23)c4cc5OCOc5cc4C(=O)N6Cc7ccccc7C[CH]6CN8CCOCC8)c9ccccc9 | InChi: | InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1 | Definition date: | 2018-05-24 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide |
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![HWY HWY](https://data.pdbj.org/pdbjplus/data/cc/svg/HWY.svg) | HWY | Name: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate | Formula: | C34 H41 N3 O8 S | SMILES: | C(N(CC(C(Cc1ccccc1)NC(=O)OC4CC2C(OC(=O)N2c3ccccc3)C4)O)S(c5ccc(cc5)OC)(=O)=O)C(C)C | InChi: | InChI=1S/C34H41N3O8S/c1-23(2)21-36(46(41,42)28-16-14-26(43-3)15-17-28)22-31(38)29(18-24-10-6-4-7-11-24)35-33(39)44-27-19-30-32(20-27)45-34(40)37(30)25-12-8-5-9-13-25/h4-17,23,27,29-32,38H,18-22H2,1-3H3,(H,35,39)/t27-,29+,30+,31-,32-/m1/s1 | Definition date: | 2018-07-27 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (3aS,5R,6aR)-2-oxo-3-phenylhexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate |
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![8XR 8XR](https://data.pdbj.org/pdbjplus/data/cc/svg/8XR.svg) | 8XR | Name: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide | Formula: | C24 H29 N3 O2 | SMILES: | C[CH]1N(C2CCCC2)c3cc(ccc3N(C)C1=O)C(=O)Nc4ccc(C)cc4C | InChi: | InChI=1S/C24H29N3O2/c1-15-9-11-20(16(2)13-15)25-23(28)18-10-12-21-22(14-18)27(19-7-5-6-8-19)17(3)24(29)26(21)4/h9-14,17,19H,5-8H2,1-4H3,(H,25,28)/t17-/m1/s1 | Definition date: | 2017-11-06 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide |
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![8XX 8XX](https://data.pdbj.org/pdbjplus/data/cc/svg/8XX.svg) | 8XX | Name: | (3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide | Formula: | C22 H25 N3 O2 | SMILES: | C[CH]1N(C2CC2)c3cc(ccc3N(C)C1=O)C(=O)N(C)c4ccc(C)cc4 | InChi: | InChI=1S/C22H25N3O2/c1-14-5-8-17(9-6-14)23(3)22(27)16-7-12-19-20(13-16)25(18-10-11-18)15(2)21(26)24(19)4/h5-9,12-13,15,18H,10-11H2,1-4H3/t15-/m1/s1 | Definition date: | 2017-11-06 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide |
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![8L9 8L9](https://data.pdbj.org/pdbjplus/data/cc/svg/8L9.svg) | 8L9 | Name: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid | Formula: | C20 H14 Br Cl2 F N2 O6 S2 | SMILES: | Cc1cc(F)c(Br)cc1N[S](=O)(=O)c2ccc(N[S](=O)(=O)c3cc(Cl)cc(Cl)c3)cc2C(O)=O | InChi: | InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28) | Definition date: | 2017-07-28 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid |
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![H7P H7P](https://data.pdbj.org/pdbjplus/data/cc/svg/H7P.svg) | H7P | Name: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide | Formula: | C24 H24 Cl F N2 O | SMILES: | C3(c2c1c(ccc(c1)F)ncc2)CCC(CC3)C(C(Nc4ccc(cc4)Cl)=O)C | InChi: | InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16-,17+/m1/s1 | Definition date: | 2018-06-12 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (2R)-N-(4-chlorophenyl)-2-[cis-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide |
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![BWW BWW](https://data.pdbj.org/pdbjplus/data/cc/svg/BWW.svg) | BWW | Name: | 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid | Formula: | C19 H14 F N O6 S | SMILES: | OC(=O)c1ccc(N[S](=O)(=O)c2cccc(c2)c3cc(F)ccc3O)cc1O | InChi: | InChI=1S/C19H14FNO6S/c20-12-4-7-17(22)16(9-12)11-2-1-3-14(8-11)28(26,27)21-13-5-6-15(19(24)25)18(23)10-13/h1-10,21-23H,(H,24,25) | Definition date: | 2017-10-27 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 4-[[3-(5-fluoranyl-2-oxidanyl-phenyl)phenyl]sulfonylamino]-2-oxidanyl-benzoic acid |
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![BXK BXK](https://data.pdbj.org/pdbjplus/data/cc/svg/BXK.svg) | BXK | Name: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid | Formula: | C12 H19 N O8 | SMILES: | CC(C)C[CH](NC(=O)O[CH](CCC(O)=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H19NO8/c1-6(2)5-7(10(16)17)13-12(20)21-8(11(18)19)3-4-9(14)15/h6-8H,3-5H2,1-2H3,(H,13,20)(H,14,15)(H,16,17)(H,18,19)/t7-,8+/m1/s1 | Definition date: | 2017-10-27 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | (2~{S})-2-[[(2~{R})-4-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]carbamoyloxy]pentanedioic acid |
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![HDR HDR](https://data.pdbj.org/pdbjplus/data/cc/svg/HDR.svg) | HDR | Name: | HEXADECANE-1-SULFINIC ACID | Formula: | C16 H34 O2 S | SMILES: | CCCCCCCCCCCCCCCCS(O)=O | InChi: | InChI=1S/C16H34O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(17)18/h2-16H2,1H3,(H,17,18) | Definition date: | 2000-05-10 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | hexadecane-1-sulfinic acid |
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![HG4 HG4](https://data.pdbj.org/pdbjplus/data/cc/svg/HG4.svg) | HG4 | Name: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide} | Formula: | C34 H38 N12 O4 | SMILES: | c6(cc(C(Nc2n(c1c(cc(cc1)C(N)=O)n2)CCCCn5c(NC(c3n(CC)nc(c3)C)=O)nc4c5ccc(c4)C(=O)N)=O)n(CC)n6)C | InChi: | InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50) | Definition date: | 2018-06-29 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide} |
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![HGJ HGJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HGJ.svg) | HGJ | Name: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide | Formula: | C23 H24 N6 O3 | SMILES: | c1c3c(cc(c1)C(N)=O)nc(NC(c2cc(nn2CC)C)=O)n3CC(O)c4ccccc4 | InChi: | InChI=1S/C23H24N6O3/c1-3-29-19(11-14(2)27-29)22(32)26-23-25-17-12-16(21(24)31)9-10-18(17)28(23)13-20(30)15-7-5-4-6-8-15/h4-12,20,30H,3,13H2,1-2H3,(H2,24,31)(H,25,26,32)/t20-/m0/s1 | Definition date: | 2018-06-29 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide |
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![HKD HKD](https://data.pdbj.org/pdbjplus/data/cc/svg/HKD.svg) | HKD | Name: | 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid | Formula: | C9 H8 O5 | SMILES: | OC(=O)C=1C=C(O)C(=O)C(=CC=1C)O | InChi: | InChI=1S/C9H8O5/c1-4-2-6(10)8(12)7(11)3-5(4)9(13)14/h2-3H,1H3,(H,13,14)(H2,10,11,12) | Definition date: | 2018-07-09 | Last modified: | 2018-11-02 | Release date: | 2018-11-07 | Identifier: | 4,6-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid |
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![G1E G1E](https://data.pdbj.org/pdbjplus/data/cc/svg/G1E.svg) | G1E | Name: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C15 H18 N6 O2 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3 | InChi: | InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m1/s1 | Definition date: | 2018-08-21 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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![G9Y G9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/G9Y.svg) | G9Y | Name: | 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | Formula: | C22 H23 N3 O3 | SMILES: | C(N1C(c4c(C(=C1)c2cc(ccc2)C(=O)N3CCOCC3)ccn4)=O)C/C=C | InChi: | InChI=1S/C22H23N3O3/c1-2-3-9-25-15-19(18-7-8-23-20(18)22(25)27)16-5-4-6-17(14-16)21(26)24-10-12-28-13-11-24/h2,4-8,14-15,23H,1,3,9-13H2 | Definition date: | 2018-05-17 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
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