![AKW AKW](https://data.pdbj.org/pdbjplus/data/cc/svg/AKW.svg) | AKW | Name: | [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{R},4~{S})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid | Formula: | C21 H30 N10 O16 P3 S2 | SMILES: | C[n+]1cn([CH]2O[CH](CS[P](O)(=O)O[P](O)(=O)O[P](O)(=O)SCC3OC(C(O)C3O)n4cnc5C(=O)NC(=Nc45)N)[CH](O)[CH]2O)c6NC(=NC(=O)c16)N | InChi: | InChI=1S/C21H29N10O16P3S2/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(45-19)3-52-50(42,43)47-48(38,39)46-49(40,41)51-2-6-10(32)12(34)18(44-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4-7,10-13,18-19,32-35H,2-3H2,1H3,(H8-,22,23,25,26,27,28,36,37,38,39,40,41,42,43)/p+1/t6?,7-,10?,11-,12?,13-,18?,19-/m1/s1 | Definition date: | 2017-08-21 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | [(2~{S},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-3~{H}-purin-7-ium-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-[[[(3~{R},4~{S})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-phosphinic acid |
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![EX4 EX4](https://data.pdbj.org/pdbjplus/data/cc/svg/EX4.svg) | EX4 | Name: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one | Formula: | C29 H33 F4 N7 O | SMILES: | c2c(c1ccc(F)c(c1)C(F)(F)F)nc(n2CCN3CCCC3)C4CCN(CC4)c6ncnc5NC(=O)CC(C)c56 | InChi: | InChI=1S/C29H33F4N7O/c1-18-14-24(41)37-26-25(18)28(35-17-34-26)39-10-6-19(7-11-39)27-36-23(16-40(27)13-12-38-8-2-3-9-38)20-4-5-22(30)21(15-20)29(31,32)33/h4-5,15-19H,2-3,6-14H2,1H3,(H,34,35,37,41)/t18-/m1/s1 | Definition date: | 2018-02-08 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one |
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![F5V F5V](https://data.pdbj.org/pdbjplus/data/cc/svg/F5V.svg) | F5V | Name: | N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide | Formula: | C21 H20 N4 O3 S | SMILES: | Cn1cc(cn1)c3cc2C(=CN(C(c2cc3)=O)C)c4cc(ccc4)NS(=O)(C)=O | InChi: | InChI=1S/C21H20N4O3S/c1-24-13-20(15-5-4-6-17(9-15)23-29(3,27)28)19-10-14(7-8-18(19)21(24)26)16-11-22-25(2)12-16/h4-13,23H,1-3H3 | Definition date: | 2018-03-01 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide |
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![F5Y F5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/F5Y.svg) | F5Y | Name: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one | Formula: | C23 H23 N3 O4 S | SMILES: | CCS(=O)(=O)c1cc(c(cc1)OC)C2=CN(C)C(=O)c3c2cc(cc3)c4cn(nc4)C | InChi: | InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3 | Definition date: | 2018-03-01 | Last modified: | 2018-04-27 | Release date: | 2018-05-02 | Identifier: | 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one |
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![84R 84R](https://data.pdbj.org/pdbjplus/data/cc/svg/84R.svg) | 84R | Name: | 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol | Formula: | C16 H16 N4 O2 S | SMILES: | Nc1cc(O)cc(c1)c2nc3ccsc3c(n2)N4CCOCC4 | InChi: | InChI=1S/C16H16N4O2S/c17-11-7-10(8-12(21)9-11)15-18-13-1-6-23-14(13)16(19-15)20-2-4-22-5-3-20/h1,6-9,21H,2-5,17H2 | Definition date: | 2017-04-19 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 3-azanyl-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol |
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![84U 84U](https://data.pdbj.org/pdbjplus/data/cc/svg/84U.svg) | 84U | Name: | 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol | Formula: | C23 H21 F N4 O2 S | SMILES: | Oc1cc(NCc2ccc(F)cc2)cc(c1)c3nc4ccsc4c(n3)N5CCOCC5 | InChi: | InChI=1S/C23H21FN4O2S/c24-17-3-1-15(2-4-17)14-25-18-11-16(12-19(29)13-18)22-26-20-5-10-31-21(20)23(27-22)28-6-8-30-9-7-28/h1-5,10-13,25,29H,6-9,14H2 | Definition date: | 2017-04-19 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 3-[(4-fluorophenyl)methylamino]-5-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol |
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![84X 84X](https://data.pdbj.org/pdbjplus/data/cc/svg/84X.svg) | 84X | Name: | 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol | Formula: | C23 H22 N4 O3 | SMILES: | Oc1cc(NCc2ccccc2)cc(c1)c3nc4ccoc4c(n3)N5CCOCC5 | InChi: | InChI=1S/C23H22N4O3/c28-19-13-17(12-18(14-19)24-15-16-4-2-1-3-5-16)22-25-20-6-9-30-21(20)23(26-22)27-7-10-29-11-8-27/h1-6,9,12-14,24,28H,7-8,10-11,15H2 | Definition date: | 2017-04-19 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 3-(4-morpholin-4-ylfuro[3,2-d]pyrimidin-2-yl)-5-[(phenylmethyl)amino]phenol |
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![9XK 9XK](https://data.pdbj.org/pdbjplus/data/cc/svg/9XK.svg) | 9XK | Name: | ~{N}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide | Formula: | C22 H18 N4 O2 S3 | SMILES: | Cc1ccc2nc(NC(=O)CSC3=NC4=C(SCC4)C(=O)N3c5ccccc5)sc2c1 | InChi: | InChI=1S/C22H18N4O2S3/c1-13-7-8-15-17(11-13)31-21(23-15)25-18(27)12-30-22-24-16-9-10-29-19(16)20(28)26(22)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,23,25,27) | Definition date: | 2017-07-26 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | ~{N}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide |
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![FJG FJG](https://data.pdbj.org/pdbjplus/data/cc/svg/FJG.svg) | FJG | Name: | trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid | Formula: | C30 H36 F3 N3 O4 S | SMILES: | c2(C1(C)CC1)cc(cc(C(NC(C)C(F)(F)F)=O)c2)c4c(nc(C(NC3CC(C3)C(O)=O)=O)s4)CC5CCCCC5 | InChi: | InChI=1S/C30H36F3N3O4S/c1-16(30(31,32)33)34-25(37)19-11-18(12-21(13-19)29(2)8-9-29)24-23(10-17-6-4-3-5-7-17)36-27(41-24)26(38)35-22-14-20(15-22)28(39)40/h11-13,16-17,20,22H,3-10,14-15H2,1-2H3,(H,34,37)(H,35,38)(H,39,40)/t16-,20-,22-/m1/s1 | Definition date: | 2018-04-03 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid |
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![JLO JLO](https://data.pdbj.org/pdbjplus/data/cc/svg/JLO.svg) | JLO | Name: | (2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal | Formula: | C18 H21 N O | SMILES: | c13cc(cc2c1N(CCC2)CCC3)[C@H]=C/C(C)=C/C=O | InChi: | InChI=1S/C18H21NO/c1-14(8-11-20)6-7-15-12-16-4-2-9-19-10-3-5-17(13-15)18(16)19/h6-8,11-13H,2-5,9-10H2,1H3/b7-6+,14-8+ | Definition date: | 2018-01-24 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | (2E,4E)-3-methyl-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal |
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![B5N B5N](https://data.pdbj.org/pdbjplus/data/cc/svg/B5N.svg) | B5N | Name: | [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone | Formula: | C19 H21 F N2 O | SMILES: | Cc1ccccc1C(=O)N2CCN(CC2)Cc3ccc(F)cc3 | InChi: | InChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3 | Definition date: | 2017-09-17 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone |
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![8WG 8WG](https://data.pdbj.org/pdbjplus/data/cc/svg/8WG.svg) | 8WG | Name: | N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide | Formula: | C20 H22 Cl N7 O | SMILES: | c1(Cl)ccc(cc1)Cn5cc(CN4CC(NC(c2nnn(c2)C3CC3)=O)C4)cn5 | InChi: | InChI=1S/C20H22ClN7O/c21-16-3-1-14(2-4-16)9-27-10-15(7-22-27)8-26-11-17(12-26)23-20(29)19-13-28(25-24-19)18-5-6-18/h1-4,7,10,13,17-18H,5-6,8-9,11-12H2,(H,23,29) | Definition date: | 2017-03-10 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | N-[1-({1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}methyl)azetidin-3-yl]-1-cyclopropyl-1H-1,2,3-triazole-4-carboxamide |
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![SVF SVF](https://data.pdbj.org/pdbjplus/data/cc/svg/SVF.svg) | SVF | Name: | 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone | Formula: | C14 H18 F N O | SMILES: | CC(=O)N1CCC(CC1)Cc2ccc(F)cc2 | InChi: | InChI=1S/C14H18FNO/c1-11(17)16-8-6-13(7-9-16)10-12-2-4-14(15)5-3-12/h2-5,13H,6-10H2,1H3 | Definition date: | 2017-06-21 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone |
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![CG7 CG7](https://data.pdbj.org/pdbjplus/data/cc/svg/CG7.svg) | CG7 | Name: | 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid | Formula: | C26 H18 Cl N3 O4 | SMILES: | OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O | InChi: | InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30) | Definition date: | 2017-09-21 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid |
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![CWY CWY](https://data.pdbj.org/pdbjplus/data/cc/svg/CWY.svg) | CWY | Name: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Formula: | C16 H18 N2 O6 | SMILES: | OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O | InChi: | InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1 | Definition date: | 2017-10-05 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid |
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![9AF 9AF](https://data.pdbj.org/pdbjplus/data/cc/svg/9AF.svg) | 9AF | Name: | dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | Formula: | C33 H42 N4 O6 | SMILES: | C(C=1C(C(=C(C)NC=1C)C(OC)=O)c4cccc(NC(NCCCN2CCC(CC2)c3cccc(c3)OC)=O)c4)(=O)OC | InChi: | InChI=1S/C33H42N4O6/c1-21-28(31(38)42-4)30(29(22(2)35-21)32(39)43-5)25-10-6-11-26(19-25)36-33(40)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)41-3/h6-7,9-12,19-20,23,30,35H,8,13-18H2,1-5H3,(H2,34,36,40) | Definition date: | 2018-02-15 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)piperidin-1-yl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
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![9AO 9AO](https://data.pdbj.org/pdbjplus/data/cc/svg/9AO.svg) | 9AO | Name: | N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide | Formula: | C33 H41 N7 O5 | SMILES: | C(C(NCCNC(/N=C(N)NCCCC(C(=O)NCc1ccc(O)cc1)NC(=O)C(c2ccccc2)c3ccccc3)=O)=O)C | InChi: | InChI=1S/C33H41N7O5/c1-2-28(42)35-20-21-37-33(45)40-32(34)36-19-9-14-27(30(43)38-22-23-15-17-26(41)18-16-23)39-31(44)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-18,27,29,41H,2,9,14,19-22H2,1H3,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45)/t27-/m1/s1 | Definition date: | 2018-02-15 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide |
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![9AY 9AY](https://data.pdbj.org/pdbjplus/data/cc/svg/9AY.svg) | 9AY | Name: | 4-methylbenzene-1,2-diamine | Formula: | C7 H10 N2 | SMILES: | c1cc(C)cc(c1N)N | InChi: | InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3 | Definition date: | 2017-04-14 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 4-methylbenzene-1,2-diamine |
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![9D7 9D7](https://data.pdbj.org/pdbjplus/data/cc/svg/9D7.svg) | 9D7 | Name: | [4-(15-phenylporphyrin-5-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)benzoato(2-)]zinc | Formula: | C33 H20 N4 O2 Zn | SMILES: | C1=CC=3N2=C1C(=C7N6[Zn]25n4c(ccc4C=3)C(=C8N5=C(C=C6C=C7)C=C8)c9ccc(cc9)C(O)=O)c%10ccccc%10 | InChi: | InChI=1S/C33H21N4O2.Zn/c38-33(39)22-8-6-21(7-9-22)32-29-16-12-25(36-29)18-23-10-14-27(34-23)31(20-4-2-1-3-5-20)28-15-11-24(35-28)19-26-13-17-30(32)37-26 | Definition date: | 2017-04-20 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | [4-(15-phenylporphyrin-5-yl-kappa~4~N~21~,N~22~,N~23~,N~24~)benzoato(2-)]zinc |
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![9EG 9EG](https://data.pdbj.org/pdbjplus/data/cc/svg/9EG.svg) | 9EG | Name: | N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea | Formula: | C13 H9 Cl3 N2 O | SMILES: | c2c(NC(Nc1ccc(Cl)cc1)=O)ccc(c2Cl)Cl | InChi: | InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19) | Definition date: | 2017-04-26 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea |
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![8C3 8C3](https://data.pdbj.org/pdbjplus/data/cc/svg/8C3.svg) | 8C3 | Name: | N-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^2,6]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide | Formula: | C18 H25 N5 O2 S | SMILES: | CCN(CC)CCCNC(=O)CN1N=C(C)n2c3ccsc3cc2C1=O | InChi: | InChI=1S/C18H25N5O2S/c1-4-21(5-2)9-6-8-19-17(24)12-22-18(25)15-11-16-14(7-10-26-16)23(15)13(3)20-22/h7,10-11H,4-6,8-9,12H2,1-3H3,(H,19,24) | Definition date: | 2017-06-07 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | ~{N}-[3-(diethylamino)propyl]-2-(12-methyl-9-oxidanylidene-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl)ethanamide |
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![8E3 8E3](https://data.pdbj.org/pdbjplus/data/cc/svg/8E3.svg) | 8E3 | Name: | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide | Formula: | C15 H13 F N4 O2 | SMILES: | NC(=O)c1cc(F)cc2[nH]c(nc12)c3oc4CNCCc4c3 | InChi: | InChI=1S/C15H13FN4O2/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20) | Definition date: | 2017-06-20 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 6-fluoranyl-2-(4,5,6,7-tetrahydrofuro[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide |
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![8E6 8E6](https://data.pdbj.org/pdbjplus/data/cc/svg/8E6.svg) | 8E6 | Name: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide | Formula: | C15 H13 F N4 O S | SMILES: | NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CCNCc4c3 | InChi: | InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)12-3-7-6-18-2-1-11(7)22-12/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20) | Definition date: | 2017-06-20 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide |
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![8EC 8EC](https://data.pdbj.org/pdbjplus/data/cc/svg/8EC.svg) | 8EC | Name: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide | Formula: | C15 H13 F N4 O S | SMILES: | NC(=O)c1cc(F)cc2[nH]c(nc12)c3sc4CNCCc4c3 | InChi: | InChI=1S/C15H13FN4OS/c16-8-4-9(14(17)21)13-10(5-8)19-15(20-13)11-3-7-1-2-18-6-12(7)22-11/h3-5,18H,1-2,6H2,(H2,17,21)(H,19,20) | Definition date: | 2017-06-20 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide |
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![8EF 8EF](https://data.pdbj.org/pdbjplus/data/cc/svg/8EF.svg) | 8EF | Name: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C12 H20 N4 O7 P2 S | SMILES: | Cc1ncc(CN2CS[CH](CCO[P](O)(=O)O[P](O)(O)=O)C2=C)c(N)n1 | InChi: | InChI=1S/C12H20N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,11H,1,3-4,6-7H2,2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)/t11-/m0/s1 | Definition date: | 2017-06-20 | Last modified: | 2018-04-20 | Release date: | 2018-04-25 | Identifier: | 2-[(5~{S})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate |
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