![VT7 VT7](https://data.pdbj.org/pdbjplus/data/cc/svg/VT7.svg) | VT7 | Name: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | Formula: | C11 H17 F2 N2 O13 P3 | SMILES: | O=C1C(C)=CN(C(N1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(O)(O)=O)F)=O | InChi: | InChI=1S/C11H17F2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1 | Definition date: | 2018-03-26 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
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![VT8 VT8](https://data.pdbj.org/pdbjplus/data/cc/svg/VT8.svg) | VT8 | Name: | 5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | Formula: | C11 H17 Cl2 N2 O13 P3 | SMILES: | N1(C=C(C(NC1=O)=O)C)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)(Cl)Cl)=O | InChi: | InChI=1S/C11H17Cl2N2O13P3/c1-5-3-15(10(18)14-9(5)17)8-2-6(16)7(27-8)4-26-31(24,25)28-30(22,23)11(12,13)29(19,20)21/h3,6-8,16H,2,4H2,1H3,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,7+,8+/m0/s1 | Definition date: | 2018-03-26 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 5'-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
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![X90 X90](https://data.pdbj.org/pdbjplus/data/cc/svg/X90.svg) | X90 | Name: | heptadecanoic acid | Formula: | C17 H34 O2 | SMILES: | O=C(O)CCCCCCCCCCCCCCCC | InChi: | InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19) | Definition date: | 2010-09-29 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | heptadecanoic acid |
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![V16 V16](https://data.pdbj.org/pdbjplus/data/cc/svg/V16.svg) | V16 | Name: | N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide | Formula: | C12 H18 N2 O | SMILES: | N(c1ccc(cc1C)CCCC)[C@H]=NO | InChi: | InChI=1S/C12H18N2O/c1-3-4-5-11-6-7-12(10(2)8-11)13-9-14-15/h6-9,15H,3-5H2,1-2H3,(H,13,14) | Definition date: | 2018-01-26 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | N-(4-butyl-2-methylphenyl)-N'-hydroxyimidoformamide |
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![9N8 9N8](https://data.pdbj.org/pdbjplus/data/cc/svg/9N8.svg) | 9N8 | Name: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide | Formula: | C17 H11 Br F N3 O2 | SMILES: | Fc1cccc(Br)c1C(=O)c2c[nH]c(c2)C(=O)Nc3cccnc3 | InChi: | InChI=1S/C17H11BrFN3O2/c18-12-4-1-5-13(19)15(12)16(23)10-7-14(21-8-10)17(24)22-11-3-2-6-20-9-11/h1-9,21H,(H,22,24) | Definition date: | 2017-06-09 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 4-(2-bromanyl-6-fluoranyl-phenyl)carbonyl-~{N}-pyridin-3-yl-1~{H}-pyrrole-2-carboxamide |
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![9NK 9NK](https://data.pdbj.org/pdbjplus/data/cc/svg/9NK.svg) | 9NK | Name: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid | Formula: | C16 H21 N O3 S | SMILES: | OC(=O)[CH]1CCCCN1C(=O)[CH](CS)Cc2ccccc2 | InChi: | InChI=1S/C16H21NO3S/c18-15(17-9-5-4-8-14(17)16(19)20)13(11-21)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,21H,4-5,8-11H2,(H,19,20)/t13-,14-/m1/s1 | Definition date: | 2017-06-09 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid |
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![9X4 9X4](https://data.pdbj.org/pdbjplus/data/cc/svg/9X4.svg) | 9X4 | Name: | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide | Formula: | C25 H25 N5 O3 | SMILES: | c5c2c(c1nc(C(=O)N)c(n1C3CC2C3)C(NC)=O)cc(C#CC(c4oc(cn4)C)(C)C)c5 | InChi: | InChI=1S/C25H25N5O3/c1-13-12-28-24(33-13)25(2,3)8-7-14-5-6-17-15-10-16(11-15)30-20(23(32)27-4)19(21(26)31)29-22(30)18(17)9-14/h5-6,9,12,15-16H,10-11H2,1-4H3,(H2,26,31)(H,27,32)/t15-,16+ | Definition date: | 2017-06-21 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide |
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![BGZ BGZ](https://data.pdbj.org/pdbjplus/data/cc/svg/BGZ.svg) | BGZ | Name: | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate | Formula: | C30 H48 O8 | SMILES: | CC[CH](O)[CH](C)[CH]1O[CH]1C[CH](C)C=CC=C(C)[CH]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O)C=C[CH]2C | InChi: | InChI=1S/C30H48O8/c1-8-24(33)21(5)29-25(37-29)16-18(2)10-9-11-19(3)28-20(4)12-13-26(36-22(6)31)30(7,35)15-14-23(32)17-27(34)38-28/h9-13,18,20-21,23-26,28-29,32-33,35H,8,14-17H2,1-7H3/b10-9+,13-12+,19-11+/t18-,20+,21-,23-,24+,25-,26+,28-,29-,30-/m1/s1 | Definition date: | 2017-10-04 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | [(2~{S},3~{S},4~{E},6~{S},7~{R},10~{R})-3,7-dimethyl-2-[(2~{E},4~{E},6~{S})-6-methyl-7-[(2~{R},3~{R})-3-[(2~{R},3~{S})-3-oxidanylpentan-2-yl]oxiran-2-yl]hepta-2,4-dien-2-yl]-7,10-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-4-en-6-yl] ethanoate |
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![F92 F92](https://data.pdbj.org/pdbjplus/data/cc/svg/F92.svg) | F92 | Name: | 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol | Formula: | C19 H20 F N5 O | SMILES: | Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[CH](O)CC4 | InChi: | InChI=1S/C19H20FN5O/c20-13-3-1-12(2-4-13)17-18(16-9-10-22-19(21)24-16)25(11-23-17)14-5-7-15(26)8-6-14/h1-4,9-11,14-15,26H,5-8H2,(H2,21,22,24)/t14-,15- | Definition date: | 2018-06-12 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol |
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![FDJ FDJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FDJ.svg) | FDJ | Name: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | Formula: | C11 H18 Cl N2 O13 P3 | SMILES: | C1(NC(=O)C(C)=CN1C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)Cl)=O)=O | InChi: | InChI=1S/C11H18ClN2O13P3/c1-5-3-14(11(17)13-9(5)16)8-2-6(15)7(26-8)4-25-30(23,24)27-29(21,22)10(12)28(18,19)20/h3,6-8,10,15H,2,4H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,10+/m0/s1 | Definition date: | 2018-03-26 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
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![FDV FDV](https://data.pdbj.org/pdbjplus/data/cc/svg/FDV.svg) | FDV | Name: | 5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine | Formula: | C12 H21 N2 O13 P3 | SMILES: | N1(C=C(C(NC1=O)=O)C)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(=O)(O)O)C)=O | InChi: | InChI=1S/C12H21N2O13P3/c1-6-4-14(12(17)13-11(6)16)10-3-8(15)9(26-10)5-25-30(23,24)27-29(21,22)7(2)28(18,19)20/h4,7-10,15H,3,5H2,1-2H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t7-,8-,9+,10+/m0/s1 | Definition date: | 2018-03-26 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]thymidine |
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![FDY FDY](https://data.pdbj.org/pdbjplus/data/cc/svg/FDY.svg) | FDY | Name: | 5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | Formula: | C11 H18 F N2 O13 P3 | SMILES: | C1(NC(=O)C(C)=CN1C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)F)=O)=O | InChi: | InChI=1S/C11H18FN2O13P3/c1-5-3-14(11(17)13-9(5)16)8-2-6(15)7(26-8)4-25-30(23,24)27-29(21,22)10(12)28(18,19)20/h3,6-8,10,15H,2,4H2,1H3,(H,21,22)(H,23,24)(H,13,16,17)(H2,18,19,20)/t6-,7+,8+,10+/m0/s1 | Definition date: | 2018-03-26 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 5'-O-[(R)-{[(R)-[(R)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine |
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![FF4 FF4](https://data.pdbj.org/pdbjplus/data/cc/svg/FF4.svg) | FF4 | Name: | 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | Formula: | C10 H17 F N3 O12 P3 | SMILES: | C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)P(O)(O)=O)=O | InChi: | InChI=1S/C10H17FN3O12P3/c11-9(27(17,18)19)28(20,21)26-29(22,23)24-4-6-5(15)3-8(25-6)14-2-1-7(12)13-10(14)16/h1-2,5-6,8-9,15H,3-4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8+,9-/m0/s1 | Definition date: | 2018-03-27 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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![FF7 FF7](https://data.pdbj.org/pdbjplus/data/cc/svg/FF7.svg) | FF7 | Name: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine | Formula: | C10 H17 Cl N3 O12 P3 | SMILES: | C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(P(O)(O)=O)Cl)=O | InChi: | InChI=1S/C10H17ClN3O12P3/c11-9(27(17,18)19)28(20,21)26-29(22,23)24-4-6-5(15)3-8(25-6)14-2-1-7(12)13-10(14)16/h1-2,5-6,8-9,15H,3-4H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t5-,6+,8+,9+/m0/s1 | Definition date: | 2018-03-27 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine |
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![FFJ FFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FFJ.svg) | FFJ | Name: | 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine | Formula: | C10 H16 F2 N3 O12 P3 | SMILES: | C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(=O)(O)O)F)=O | InChi: | InChI=1S/C10H16F2N3O12P3/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-4-6-5(16)3-8(26-6)15-2-1-7(13)14-9(15)17/h1-2,5-6,8,16H,3-4H2,(H,21,22)(H,23,24)(H2,13,14,17)(H2,18,19,20)/t5-,6+,8+/m0/s1 | Definition date: | 2018-03-27 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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![EP5 EP5](https://data.pdbj.org/pdbjplus/data/cc/svg/EP5.svg) | EP5 | Name: | 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium | Formula: | C23 H26 N5 O2 | SMILES: | [NH3+]CCc1c[nH]c2ccc(OCC(=O)N3CCN(CC3)c4ccc(cc4)C#N)cc12 | InChi: | InChI=1S/C23H25N5O2/c24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19/h1-6,13,15,26H,7-12,16,24H2/p+1 | Definition date: | 2018-04-06 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 2-[5-[2-[4-(4-cyanophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-1~{H}-indol-3-yl]ethylazanium |
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![9B3 9B3](https://data.pdbj.org/pdbjplus/data/cc/svg/9B3.svg) | 9B3 | Name: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid | Formula: | C9 H11 Cl N2 O2 Se | SMILES: | Nc1ncc(C[CH](C[SeH])C(O)=O)cc1Cl | InChi: | InChI=1S/C9H11ClN2O2Se/c10-7-2-5(3-12-8(7)11)1-6(4-15)9(13)14/h2-3,6,15H,1,4H2,(H2,11,12)(H,13,14)/t6-/m1/s1 | Definition date: | 2018-03-01 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid |
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![9ER 9ER](https://data.pdbj.org/pdbjplus/data/cc/svg/9ER.svg) | 9ER | Name: | N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine | Formula: | C28 H40 N4 S | SMILES: | CC(C)c1cc(C(C)C)cc(c1c2nc(sc2)N(Cc3cnccc3)CCN(C)C)C(C)C | InChi: | InChI=1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3 | Definition date: | 2018-03-29 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | N~1~,N~1~-dimethyl-N~2~-[(pyridin-3-yl)methyl]-N~2~-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine |
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![9EU 9EU](https://data.pdbj.org/pdbjplus/data/cc/svg/9EU.svg) | 9EU | Name: | 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide | Formula: | C28 H22 F N5 O2 | SMILES: | Cc2nc1cnccc1n2Cc3ccc(cc3F)C(=O)c4cn(c5c4c(C#C)ccc5)C(N(C)C)=O | InChi: | InChI=1S/C28H22FN5O2/c1-5-18-7-6-8-25-26(18)21(16-34(25)28(36)32(3)4)27(35)19-9-10-20(22(29)13-19)15-33-17(2)31-23-14-30-12-11-24(23)33/h1,6-14,16H,15H2,2-4H3 | Definition date: | 2018-03-29 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 4-ethynyl-3-{3-fluoro-4-[(2-methyl-1H-imidazo[4,5-c]pyridin-1-yl)methyl]benzene-1-carbonyl}-N,N-dimethyl-1H-indole-1-carboxamide |
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![D0P D0P](https://data.pdbj.org/pdbjplus/data/cc/svg/D0P.svg) | D0P | Name: | N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide | Formula: | C14 H11 F2 N O2 S | SMILES: | c2(ccc(c1ccc(c(NC(CS)=O)c1)O)c(c2)F)F | InChi: | InChI=1S/C14H11F2NO2S/c15-9-2-3-10(11(16)6-9)8-1-4-13(18)12(5-8)17-14(19)7-20/h1-6,18,20H,7H2,(H,17,19) | Definition date: | 2017-10-12 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | N-(2',4'-difluoro-4-hydroxy[1,1'-biphenyl]-3-yl)-2-sulfanylacetamide |
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![DYZ DYZ](https://data.pdbj.org/pdbjplus/data/cc/svg/DYZ.svg) | DYZ | Name: | 7-ethyl-3-(phenylmethyl)purine-2,6-dione | Formula: | C14 H14 N4 O2 | SMILES: | CCn1cnc2N(Cc3ccccc3)C(=O)NC(=O)c12 | InChi: | InChI=1S/C14H14N4O2/c1-2-17-9-15-12-11(17)13(19)16-14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,19,20) | Definition date: | 2018-02-05 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 7-ethyl-3-(phenylmethyl)purine-2,6-dione |
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![DZH DZH](https://data.pdbj.org/pdbjplus/data/cc/svg/DZH.svg) | DZH | Name: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | Formula: | C25 H26 N6 O5 S | SMILES: | CCn1cnc2N(Cc3ccc(CN[S](=O)(=O)c4ccc5NC(=O)CCCc5c4)cc3)C(=O)NC(=O)c12 | InChi: | InChI=1S/C25H26N6O5S/c1-2-30-15-26-23-22(30)24(33)29-25(34)31(23)14-17-8-6-16(7-9-17)13-27-37(35,36)19-10-11-20-18(12-19)4-3-5-21(32)28-20/h6-12,15,27H,2-5,13-14H2,1H3,(H,28,32)(H,29,33,34) | Definition date: | 2018-02-06 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide |
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![E78 E78](https://data.pdbj.org/pdbjplus/data/cc/svg/E78.svg) | E78 | Name: | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | Formula: | C20 H23 N3 O2 S | SMILES: | C[CH](C1CC1)N2Cc3cc(cc(C)c3C2=O)c4sc(NC(C)=O)nc4C | InChi: | InChI=1S/C20H23N3O2S/c1-10-7-15(18-11(2)21-20(26-18)22-13(4)24)8-16-9-23(19(25)17(10)16)12(3)14-5-6-14/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22,24)/t12-/m0/s1 | Definition date: | 2018-02-22 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide |
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![FKY FKY](https://data.pdbj.org/pdbjplus/data/cc/svg/FKY.svg) | FKY | Name: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide | Formula: | C24 H23 F4 N5 O4 | SMILES: | c1n(C)cnc1c2cc(c(nc2)OC4C(CN(C(=O)Cc3ccc(OC(F)(F)F)cc3)CC4)F)C(=O)N | InChi: | InChI=1S/C24H23F4N5O4/c1-32-12-19(31-13-32)15-9-17(22(29)35)23(30-10-15)36-20-6-7-33(11-18(20)25)21(34)8-14-2-4-16(5-3-14)37-24(26,27)28/h2-5,9-10,12-13,18,20H,6-8,11H2,1H3,(H2,29,35)/t18-,20+/m1/s1 | Definition date: | 2018-04-09 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl]oxy}-5-(1-methyl-1H-imidazol-4-yl)pyridine-3-carboxamide |
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![FLJ FLJ](https://data.pdbj.org/pdbjplus/data/cc/svg/FLJ.svg) | FLJ | Name: | (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone | Formula: | C21 H20 F N7 O2 | SMILES: | n5c(Nc1c(cc(cc1)C(N2CCOCC2)=O)F)c4ncc(c3cnnc3)n4cc5C | InChi: | InChI=1S/C21H20FN7O2/c1-13-12-29-18(15-9-24-25-10-15)11-23-20(29)19(26-13)27-17-3-2-14(8-16(17)22)21(30)28-4-6-31-7-5-28/h2-3,8-12H,4-7H2,1H3,(H,24,25)(H,26,27) | Definition date: | 2018-04-09 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | (3-fluoro-4-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone |
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