![8NQ 8NQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8NQ.svg) | 8NQ | Name: | 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide | Formula: | C21 H19 Br N6 O3 | SMILES: | NC(=O)c1nn(CC(=O)N2[CH]3C[CH]3C[CH]2C(=O)Nc4cccc(Br)n4)c5ccccc15 | InChi: | InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1 | Definition date: | 2017-02-13 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | 1-[2-[(1~{R},3~{S},5~{R})-3-[(6-bromanylpyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]indazole-3-carboxamide |
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![8RW 8RW](https://data.pdbj.org/pdbjplus/data/cc/svg/8RW.svg) | 8RW | Name: | (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | Formula: | C22 H20 F3 N5 O4 | SMILES: | NC(=O)n1cc(NC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14 | InChi: | InChI=1S/C22H20F3N5O4/c23-22(24,25)34-14-6-3-5-13(11-14)27-19(31)18-9-4-10-29(18)21(33)28-16-12-30(20(26)32)17-8-2-1-7-15(16)17/h1-3,5-8,11-12,18H,4,9-10H2,(H2,26,32)(H,27,31)(H,28,33)/t18-/m0/s1 | Definition date: | 2017-02-28 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | (2~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
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![8RZ 8RZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8RZ.svg) | 8RZ | Name: | (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide | Formula: | C23 H20 F3 N5 O4 | SMILES: | NC(=O)n1cc(NC(=O)N2[CH]3C[CH]3C[CH]2C(=O)Nc4cccc(OC(F)(F)F)c4)c5ccccc15 | InChi: | InChI=1S/C23H20F3N5O4/c24-23(25,26)35-14-5-3-4-13(10-14)28-20(32)19-9-12-8-18(12)31(19)22(34)29-16-11-30(21(27)33)17-7-2-1-6-15(16)17/h1-7,10-12,18-19H,8-9H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-,19+/m1/s1 | Definition date: | 2017-02-28 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | (1~{R},3~{S},5~{R})-~{N}2-(1-aminocarbonylindol-3-yl)-~{N}3-[3-(trifluoromethyloxy)phenyl]-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide |
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![8S2 8S2](https://data.pdbj.org/pdbjplus/data/cc/svg/8S2.svg) | 8S2 | Name: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | Formula: | C22 H21 F3 N6 O4 | SMILES: | N[CH]1C[CH](N(C1)C(=O)Nc2cn(C(N)=O)c3ccccc23)C(=O)Nc4cccc(OC(F)(F)F)c4 | InChi: | InChI=1S/C22H21F3N6O4/c23-22(24,25)35-14-5-3-4-13(9-14)28-19(32)18-8-12(26)10-31(18)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10,26H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18-/m0/s1 | Definition date: | 2017-03-01 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
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![8S5 8S5](https://data.pdbj.org/pdbjplus/data/cc/svg/8S5.svg) | 8S5 | Name: | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | Formula: | C22 H19 F4 N5 O4 | SMILES: | NC(=O)n1cc(NC(=O)N2C[CH](F)C[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14 | InChi: | InChI=1S/C22H19F4N5O4/c23-12-8-18(19(32)28-13-4-3-5-14(9-13)35-22(24,25)26)31(10-12)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10H2,(H2,27,33)(H,28,32)(H,29,34)/t12-,18+/m1/s1 | Definition date: | 2017-03-01 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
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![F62 F62](https://data.pdbj.org/pdbjplus/data/cc/svg/F62.svg) | F62 | Name: | N-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide | Formula: | C29 H31 N7 O3 | SMILES: | COc1cc(ccc1Nc2ncc3C(=CC(=O)N(c4cccc(NC(=O)C=C)c4)c3n2)C)N5CCN(C)CC5 | InChi: | InChI=1S/C29H31N7O3/c1-5-26(37)31-20-7-6-8-22(16-20)36-27(38)15-19(2)23-18-30-29(33-28(23)36)32-24-10-9-21(17-25(24)39-4)35-13-11-34(3)12-14-35/h5-10,15-18H,1,11-14H2,2-4H3,(H,31,37)(H,30,32,33) | Definition date: | 2016-09-30 | Last modified: | 2017-06-23 | Release date: | 2017-06-28 | Identifier: | ~{N}-[3-[2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide |
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![7HT 7HT](https://data.pdbj.org/pdbjplus/data/cc/svg/7HT.svg) | 7HT | Name: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone | Formula: | C28 H37 N6 O | SMILES: | C[CH]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc23)[CH](C[NH2+]1)Cn5cc(C)cn5 | InChi: | InChI=1S/C28H36N6O/c1-20-12-31-33(15-20)17-24-13-29-21(2)16-32(24)18-27(35)34-19-28(3,4)25-14-30-23(11-26(25)34)10-22-8-6-5-7-9-22/h5-9,11-12,14-15,21,24,29H,10,13,16-19H2,1-4H3/p+1/t21-,24-/m1/s1 | Definition date: | 2016-11-01 | Last modified: | 2017-06-21 | Release date: | 2017-05-24 | Identifier: | 1-[3,3-dimethyl-6-(phenylmethyl)-2~{H}-pyrrolo[3,2-c]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[(4-methylpyrazol-1-yl)methyl]piperazin-4-ium-1-yl]ethanone |
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![YE2 YE2](https://data.pdbj.org/pdbjplus/data/cc/svg/YE2.svg) | YE2 | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | Formula: | C29 H42 N7 O19 P3 S | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(O)=Cc4cc(O)cc(O)c4 | InChi: | InChI=1S/C29H42N7O19P3S/c1-29(2,24(42)27(43)32-4-3-19(39)31-5-6-59-20(40)9-15-7-16(37)10-17(38)8-15)12-52-58(49,50)55-57(47,48)51-11-18-23(54-56(44,45)46)22(41)28(53-18)36-14-35-21-25(30)33-13-34-26(21)36/h7-10,13-14,18,22-24,28,37-38,40-42H,3-6,11-12H2,1-2H3,(H,31,39)(H,32,43)(H,47,48)(H,49,50)(H2,30,33,34)(H2,44,45,46)/b20-9+/t18-,22-,23-,24+,28-/m1/s1 | Definition date: | 2016-06-02 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate |
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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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![JC2 JC2](https://data.pdbj.org/pdbjplus/data/cc/svg/JC2.svg) | JC2 | Name: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid | Formula: | C19 H31 N4 O7 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCN)C(O)=O | InChi: | InChI=1S/C19H31N4O7P/c1-13(2)10-16(17(24)22-15(8-9-20)18(25)26)23-31(28,29)12-21-19(27)30-11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,20H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)(H2,23,28,29)/t15-,16-/m0/s1 | Definition date: | 2016-12-13 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid |
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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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![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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![IS8 IS8](https://data.pdbj.org/pdbjplus/data/cc/svg/IS8.svg) | IS8 | Name: | isothiocyanate | Formula: | C H N S | SMILES: | N=C=S | InChi: | InChI=1S/CHNS/c2-1-3/h2H | Definition date: | 2017-03-29 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | isothiocyanic acid |
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![9RP 9RP](https://data.pdbj.org/pdbjplus/data/cc/svg/9RP.svg) | 9RP | Name: | 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol | Formula: | C16 H12 N4 O | SMILES: | n3(c(c(c2cc1c(ccnc1)n2)cn3)O)c4ccccc4 | InChi: | InChI=1S/C16H12N4O/c21-16-13(10-18-20(16)12-4-2-1-3-5-12)15-8-11-9-17-7-6-14(11)19-15/h1-10,19,21H | Definition date: | 2017-06-06 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | 1-phenyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ol |
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![9RS 9RS](https://data.pdbj.org/pdbjplus/data/cc/svg/9RS.svg) | 9RS | Name: | N-({3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea | Formula: | C25 H22 N6 O2 | SMILES: | n3(c(c(c2cc1cnccc1n2)c(C)n3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5 | InChi: | InChI=1S/C25H22N6O2/c1-16-23(22-13-18-15-26-11-10-21(18)29-22)24(32)31(30-16)20-9-5-6-17(12-20)14-27-25(33)28-19-7-3-2-4-8-19/h2-13,15,29,32H,14H2,1H3,(H2,27,28,33) | Definition date: | 2017-06-06 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | N-({3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea |
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![9RV 9RV](https://data.pdbj.org/pdbjplus/data/cc/svg/9RV.svg) | 9RV | Name: | N-({3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)pentanamide | Formula: | C22 H23 N5 O2 | SMILES: | n3(c(c(c2cc1cnccc1n2)cn3)O)c4cc(CNC(CCCC)=O)ccc4 | InChi: | InChI=1S/C22H23N5O2/c1-2-3-7-21(28)24-12-15-5-4-6-17(10-15)27-22(29)18(14-25-27)20-11-16-13-23-9-8-19(16)26-20/h4-6,8-11,13-14,26,29H,2-3,7,12H2,1H3,(H,24,28) | Definition date: | 2017-06-06 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | N-({3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)pentanamide |
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![9RY 9RY](https://data.pdbj.org/pdbjplus/data/cc/svg/9RY.svg) | 9RY | Name: | N-({3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea | Formula: | C23 H19 N7 O2 | SMILES: | n3(c(c(c2cc1c(ncnc1)n2)cn3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5 | InChi: | InChI=1S/C23H19N7O2/c31-22-19(20-10-16-12-24-14-26-21(16)29-20)13-27-30(22)18-8-4-5-15(9-18)11-25-23(32)28-17-6-2-1-3-7-17/h1-10,12-14,31H,11H2,(H,24,26,29)(H2,25,28,32) | Definition date: | 2017-06-06 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | N-({3-[5-hydroxy-4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea |
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![9S1 9S1](https://data.pdbj.org/pdbjplus/data/cc/svg/9S1.svg) | 9S1 | Name: | N-({3-[4-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea | Formula: | C24 H21 N7 O2 | SMILES: | n3(c(c(c1cc2nc(ccc2n1)N)cn3)O)c5cc(CNC(Nc4ccccc4)=O)ccc5 | InChi: | InChI=1S/C24H21N7O2/c25-22-10-9-19-21(30-22)12-20(29-19)18-14-27-31(23(18)32)17-8-4-5-15(11-17)13-26-24(33)28-16-6-2-1-3-7-16/h1-12,14,29,32H,13H2,(H2,25,30)(H2,26,28,33) | Definition date: | 2017-06-06 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | N-({3-[4-(5-amino-1H-pyrrolo[3,2-b]pyridin-2-yl)-5-hydroxy-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea |
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![9TS 9TS](https://data.pdbj.org/pdbjplus/data/cc/svg/9TS.svg) | 9TS | Name: | (2E)-pent-2-enoic acid | Formula: | C5 H8 O2 | SMILES: | C(C=CCC)(O)=O | InChi: | InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+ | Definition date: | 2017-06-07 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | (2E)-pent-2-enoic acid |
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![6ZH 6ZH](https://data.pdbj.org/pdbjplus/data/cc/svg/6ZH.svg) | 6ZH | Name: | [[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium | Formula: | C13 H19 N8 O3 | SMILES: | NC(=[NH2+])NCC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C13H18N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h1-2,4-6,8-9,12,22-23H,3H2,(H2,14,18,19)(H4,15,16,17)/p+1/b2-1+/t6-,8-,9-,12-/m1/s1 | Definition date: | 2016-07-30 | Last modified: | 2017-06-16 | Release date: | 2017-06-21 | Identifier: | [[[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]amino]-azanyl-methylidene]azanium |
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