![7YJ 7YJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7YJ.svg) | 7YJ | Name: | (2R)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-methylbutanamide | Formula: | C22 H23 N5 O3 | SMILES: | CC(C)[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 | InChi: | InChI=1S/C22H23N5O3/c1-13(2)20(28)21(29)24-10-14-4-3-5-16(8-14)27-22(30)17(12-25-27)19-9-15-11-23-7-6-18(15)26-19/h3-9,11-13,20,26,28,30H,10H2,1-2H3,(H,24,29)/t20-/m1/s1 | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{R})-3-methyl-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]butanamide |
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![7YM 7YM](https://data.pdbj.org/pdbjplus/data/cc/svg/7YM.svg) | 7YM | Name: | N-(2-amino-1H-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-hydroxypyrazole-4-carboxamide | Formula: | C24 H23 N9 O4 | SMILES: | Cc1onc(C)c1NC(=O)NCc2cccc(c2)n3ncc(C(=O)Nc4ccc5nc(N)[nH]c5c4)c3O | InChi: | InChI=1S/C24H23N9O4/c1-12-20(13(2)37-32-12)31-24(36)26-10-14-4-3-5-16(8-14)33-22(35)17(11-27-33)21(34)28-15-6-7-18-19(9-15)30-23(25)29-18/h3-9,11,35H,10H2,1-2H3,(H,28,34)(H3,25,29,30)(H2,26,31,36) | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | ~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-1-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]methyl]phenyl]-5-oxidanyl-pyrazole-4-carboxamide |
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![7Z4 7Z4](https://data.pdbj.org/pdbjplus/data/cc/svg/7Z4.svg) | 7Z4 | Name: | 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide | Formula: | C26 H20 N6 O4 | SMILES: | n3(c(c(C(=O)Nc2cc1C(=O)N=Cc1cc2)cn3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5 | InChi: | InChI=1S/C26H20N6O4/c33-23-21-12-19(10-9-17(21)14-27-23)30-24(34)22-15-29-32(25(22)35)20-8-4-5-16(11-20)13-28-26(36)31-18-6-2-1-3-7-18/h1-12,14-15,35H,13H2,(H,30,34)(H2,28,31,36) | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 5-hydroxy-N-(1-oxo-1H-isoindol-6-yl)-1-(3-{[(phenylcarbamoyl)amino]methyl}phenyl)-1H-pyrazole-4-carboxamide |
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![7Z7 7Z7](https://data.pdbj.org/pdbjplus/data/cc/svg/7Z7.svg) | 7Z7 | Name: | (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide | Formula: | C20 H19 N5 O4 | SMILES: | OC[CH](O)C(=O)NCc1cccc(c1)n2ncc(c2O)c3[nH]c4ccncc4c3 | InChi: | InChI=1S/C20H19N5O4/c26-11-18(27)19(28)22-8-12-2-1-3-14(6-12)25-20(29)15(10-23-25)17-7-13-9-21-5-4-16(13)24-17/h1-7,9-10,18,24,26-27,29H,8,11H2,(H,22,28)/t18-/m0/s1 | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{S})-2,3-bis(oxidanyl)-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide |
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![7ZA 7ZA](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZA.svg) | 7ZA | Name: | 2-[(1-aminoisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone | Formula: | C32 H36 N4 O3 | SMILES: | CCOc1cc(ccc1OC(C)C)[CH](Nc2ccc3c(N)nccc3c2)C(=O)N4CCC[CH]4c5ccccc5 | InChi: | InChI=1S/C32H36N4O3/c1-4-38-29-20-24(12-15-28(29)39-21(2)3)30(35-25-13-14-26-23(19-25)16-17-34-31(26)33)32(37)36-18-8-11-27(36)22-9-6-5-7-10-22/h5-7,9-10,12-17,19-21,27,30,35H,4,8,11,18H2,1-3H3,(H2,33,34)/t27-,30-/m1/s1 | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{R})-2-[(1-azanylisoquinolin-6-yl)amino]-2-(3-ethoxy-4-propan-2-yloxy-phenyl)-1-[(2~{R})-2-phenylpyrrolidin-1-yl]ethanone |
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![7ZD 7ZD](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZD.svg) | 7ZD | Name: | (2S)-2-hydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylpropanamide | Formula: | C26 H23 N5 O3 | SMILES: | O[CH](Cc1ccccc1)C(=O)NCc2cccc(c2)n3ncc(c3O)c4[nH]c5ccncc5c4 | InChi: | InChI=1S/C26H23N5O3/c32-24(12-17-5-2-1-3-6-17)25(33)28-14-18-7-4-8-20(11-18)31-26(34)21(16-29-31)23-13-19-15-27-10-9-22(19)30-23/h1-11,13,15-16,24,30,32,34H,12,14H2,(H,28,33)/t24-/m0/s1 | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{S})-2-oxidanyl-~{N}-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenyl-propanamide |
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![7ZG 7ZG](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZG.svg) | 7ZG | Name: | N-(2-amino-1H-benzimidazol-5-yl)-2-(3-chlorophenyl)acetamide | Formula: | C15 H13 Cl N4 O | SMILES: | Nc1[nH]c2cc(NC(=O)Cc3cccc(Cl)c3)ccc2n1 | InChi: | InChI=1S/C15H13ClN4O/c16-10-3-1-2-9(6-10)7-14(21)18-11-4-5-12-13(8-11)20-15(17)19-12/h1-6,8H,7H2,(H,18,21)(H3,17,19,20) | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | ~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-2-(3-chlorophenyl)ethanamide |
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![7ZJ 7ZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZJ.svg) | 7ZJ | Name: | N-(2-amino-1H-benzimidazol-5-yl)-2-[3-[(2-amino-2-oxoethyl)-methylsulfonylamino]phenyl]acetamide | Formula: | C18 H20 N6 O4 S | SMILES: | C[S](=O)(=O)N(CC(N)=O)c1cccc(CC(=O)Nc2ccc3nc(N)[nH]c3c2)c1 | InChi: | InChI=1S/C18H20N6O4S/c1-29(27,28)24(10-16(19)25)13-4-2-3-11(7-13)8-17(26)21-12-5-6-14-15(9-12)23-18(20)22-14/h2-7,9H,8,10H2,1H3,(H2,19,25)(H,21,26)(H3,20,22,23) | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | ~{N}-(2-azanyl-3~{H}-benzimidazol-5-yl)-2-[3-[(2-azanyl-2-oxidanylidene-ethyl)-methylsulfonyl-amino]phenyl]ethanamide |
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![7ZM 7ZM](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZM.svg) | 7ZM | Name: | N-(6-aminopyridin-3-yl)-5-hydroxy-1-phenylpyrazole-4-carboxamide | Formula: | C15 H13 N5 O2 | SMILES: | Nc1ccc(NC(=O)c2cnn(c2O)c3ccccc3)cn1 | InChi: | InChI=1S/C15H13N5O2/c16-13-7-6-10(8-17-13)19-14(21)12-9-18-20(15(12)22)11-4-2-1-3-5-11/h1-9,22H,(H2,16,17)(H,19,21) | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | ~{N}-(6-azanylpyridin-3-yl)-5-oxidanyl-1-phenyl-pyrazole-4-carboxamide |
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![7ZP 7ZP](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZP.svg) | 7ZP | Name: | 1-(2,6-difluorophenyl)-3-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea | Formula: | C24 H18 F2 N6 O2 | SMILES: | Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5c(F)cccc5F)c4 | InChi: | InChI=1S/C24H18F2N6O2/c25-18-5-2-6-19(26)22(18)31-24(34)28-11-14-3-1-4-16(9-14)32-23(33)17(13-29-32)21-10-15-12-27-8-7-20(15)30-21/h1-10,12-13,30,33H,11H2,(H2,28,31,34) | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 1-[2,6-bis(fluoranyl)phenyl]-3-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]urea |
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![7ZY 7ZY](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZY.svg) | 7ZY | Name: | 1-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenylurea | Formula: | C24 H20 N6 O2 | SMILES: | Oc1n(ncc1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5ccccc5)c4 | InChi: | InChI=1S/C24H20N6O2/c31-23-20(22-12-17-14-25-10-9-21(17)29-22)15-27-30(23)19-8-4-5-16(11-19)13-26-24(32)28-18-6-2-1-3-7-18/h1-12,14-15,29,31H,13H2,(H2,26,28,32) | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 1-[[3-[5-oxidanyl-4-(1~{H}-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]-3-phenyl-urea |
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![QCL QCL](https://data.pdbj.org/pdbjplus/data/cc/svg/QCL.svg) | QCL | Name: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde | Formula: | C16 H20 N2 O2 | SMILES: | CCC(CC)COc1cc(C=O)nc2c(N)cccc12 | InChi: | InChI=1S/C16H20N2O2/c1-3-11(4-2)10-20-15-8-12(9-19)18-16-13(15)6-5-7-14(16)17/h5-9,11H,3-4,10,17H2,1-2H3 | Definition date: | 2016-06-01 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 8-azanyl-4-(2-ethylbutoxy)quinoline-2-carbaldehyde |
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![8JH 8JH](https://data.pdbj.org/pdbjplus/data/cc/svg/8JH.svg) | 8JH | Name: | ~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid | Formula: | C19 H33 N4 O5 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCCN | InChi: | InChI=1S/C19H33N4O5P/c1-15(2)12-17(18(24)21-11-7-6-10-20)23-29(26,27)14-22-19(25)28-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14,20H2,1-2H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1 | Definition date: | 2017-02-08 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | ~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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![8JQ 8JQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8JQ.svg) | 8JQ | Name: | ~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid | Formula: | C17 H29 N4 O5 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCN | InChi: | InChI=1S/C17H29N4O5P/c1-13(2)10-15(16(22)19-9-8-18)21-27(24,25)12-20-17(23)26-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12,18H2,1-2H3,(H,19,22)(H,20,23)(H2,21,24,25)/t15-/m0/s1 | Definition date: | 2017-02-08 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | ~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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![8KK 8KK](https://data.pdbj.org/pdbjplus/data/cc/svg/8KK.svg) | 8KK | Name: | ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid | Formula: | C18 H31 N4 O5 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCN | InChi: | InChI=1S/C18H31N4O5P/c1-14(2)11-16(17(23)20-10-6-9-19)22-28(25,26)13-21-18(24)27-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,23)(H,21,24)(H2,22,25,26)/t16-/m0/s1 | Definition date: | 2017-02-09 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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![8KN 8KN](https://data.pdbj.org/pdbjplus/data/cc/svg/8KN.svg) | 8KN | Name: | (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid | Formula: | C20 H33 N4 O7 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCN)C(O)=O | InChi: | InChI=1S/C20H33N4O7P/c1-14(2)11-17(18(25)23-16(19(26)27)9-6-10-21)24-32(29,30)13-22-20(28)31-12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,21H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17-/m0/s1 | Definition date: | 2017-02-09 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid |
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![8L2 8L2](https://data.pdbj.org/pdbjplus/data/cc/svg/8L2.svg) | 8L2 | Name: | (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid | Formula: | C18 H29 N4 O7 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CN)C(O)=O | InChi: | InChI=1S/C18H29N4O7P/c1-12(2)8-14(16(23)21-15(9-19)17(24)25)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1 | Definition date: | 2017-02-09 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid |
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![8LB 8LB](https://data.pdbj.org/pdbjplus/data/cc/svg/8LB.svg) | 8LB | Name: | (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid | Formula: | C21 H35 N4 O7 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCCN)C(O)=O | InChi: | InChI=1S/C21H35N4O7P/c1-15(2)12-18(19(26)24-17(20(27)28)10-6-7-11-22)25-33(30,31)14-23-21(29)32-13-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14,22H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1 | Definition date: | 2017-02-09 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid |
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![8NG 8NG](https://data.pdbj.org/pdbjplus/data/cc/svg/8NG.svg) | 8NG | Name: | N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide | Formula: | C22 H19 F2 N3 O4 S | SMILES: | c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)C4=CN(C)C(c3c4ccn3)=O | InChi: | InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | Definition date: | 2017-02-22 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide |
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![8NM 8NM](https://data.pdbj.org/pdbjplus/data/cc/svg/8NM.svg) | 8NM | Name: | N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide | Formula: | C21 H19 N3 O4 S | SMILES: | c1cc(c(cc1NS(C)(=O)=O)C3=CN(C)C(c2c3ccn2)=O)Oc4ccccc4 | InChi: | InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3 | Definition date: | 2017-02-22 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide |
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![8NS 8NS](https://data.pdbj.org/pdbjplus/data/cc/svg/8NS.svg) | 8NS | Name: | 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one | Formula: | C21 H23 N3 O3 S | SMILES: | n4c5c3C(c1c(ccc(c1)S(CC)(=O)=O)N(CC2CC2)Cc3c4)=CN(C)C5=O | InChi: | InChI=1S/C21H23N3O3S/c1-3-28(26,27)15-6-7-18-16(8-15)17-12-23(2)21(25)20-19(17)14(9-22-20)11-24(18)10-13-4-5-13/h6-9,12-13,22H,3-5,10-11H2,1-2H3 | Definition date: | 2017-02-22 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one |
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![8NV 8NV](https://data.pdbj.org/pdbjplus/data/cc/svg/8NV.svg) | 8NV | Name: | 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one | Formula: | C22 H25 N3 O3 S | SMILES: | c5c3c4c(C(N(C)C=C4c1c(ccc(c1)S(C(C)C)(=O)=O)N(CC2CC2)C3)=O)n5 | InChi: | InChI=1S/C22H25N3O3S/c1-13(2)29(27,28)16-6-7-19-17(8-16)18-12-24(3)22(26)21-20(18)15(9-23-21)11-25(19)10-14-4-5-14/h6-9,12-14,23H,4-5,10-11H2,1-3H3 | Definition date: | 2017-02-22 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one |
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![8O1 8O1](https://data.pdbj.org/pdbjplus/data/cc/svg/8O1.svg) | 8O1 | Name: | 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | Formula: | C20 H23 N3 O3 S | SMILES: | c1c(c(ccc1S(CC)(=O)=O)NCC2CC2)C=3c4c(C(N(C=3)C)=O)ncc4 | InChi: | InChI=1S/C20H23N3O3S/c1-3-27(25,26)14-6-7-18(22-11-13-4-5-13)16(10-14)17-12-23(2)20(24)19-15(17)8-9-21-19/h6-10,12-13,21-22H,3-5,11H2,1-2H3 | Definition date: | 2017-02-22 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
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![8O4 8O4](https://data.pdbj.org/pdbjplus/data/cc/svg/8O4.svg) | 8O4 | Name: | 7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one | Formula: | C21 H23 N3 O3 S | SMILES: | c5c3c4c(C(N(C=C4c1cc(CS(C)(=O)=O)ccc1N(CC2CC2)C3)C)=O)n5 | InChi: | InChI=1S/C21H23N3O3S/c1-23-11-17-16-7-14(12-28(2,26)27)5-6-18(16)24(9-13-3-4-13)10-15-8-22-20(19(15)17)21(23)25/h5-8,11,13,22H,3-4,9-10,12H2,1-2H3 | Definition date: | 2017-02-22 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 7-(cyclopropylmethyl)-2-methyl-10-[(methylsulfonyl)methyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one |
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![QOL QOL](https://data.pdbj.org/pdbjplus/data/cc/svg/QOL.svg) | QOL | Name: | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde | Formula: | C14 H16 N2 O4 | SMILES: | Nc1cccc2c(OCC(CO)CO)cc(C=O)nc12 | InChi: | InChI=1S/C14H16N2O4/c15-12-3-1-2-11-13(20-8-9(5-17)6-18)4-10(7-19)16-14(11)12/h1-4,7,9,17-18H,5-6,8,15H2 | Definition date: | 2016-06-03 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 8-azanyl-4-[2-(hydroxymethyl)-3-oxidanyl-propoxy]quinoline-2-carbaldehyde |
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