![VA4 VA4](https://data.pdbj.org/pdbjplus/data/cc/svg/VA4.svg) | VA4 | Name: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine | Formula: | C11 H17 Cl N5 O11 P3 | SMILES: | n1c(c2c(nc1)n(cn2)C3OC(C(C3)O)COP(=O)(O)OP(O)(C(P(=O)(O)O)Cl)=O)N | InChi: | InChI=1S/C11H17ClN5O11P3/c12-11(29(19,20)21)30(22,23)28-31(24,25)26-2-6-5(18)1-7(27-6)17-4-16-8-9(13)14-3-15-10(8)17/h3-7,11,18H,1-2H2,(H,22,23)(H,24,25)(H2,13,14,15)(H2,19,20,21)/t5-,6+,7+,11+/m0/s1 | Definition date: | 2018-03-22 | Last modified: | 2018-06-29 | Release date: | 2018-07-04 | Identifier: | 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine |
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![VA5 VA5](https://data.pdbj.org/pdbjplus/data/cc/svg/VA5.svg) | VA5 | Name: | 9-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-threo-pentofuranosyl}-9H-purin-6-amine | Formula: | C11 H16 Cl F N5 O11 P3 | SMILES: | P(=O)(O)(OP(O)(C(Cl)(P(O)(O)=O)F)=O)OCC3OC(n1cnc2c1ncnc2N)CC3O | InChi: | InChI=1S/C11H16ClFN5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6-,7+,11-/m1/s1 | Definition date: | 2018-03-22 | Last modified: | 2018-06-29 | Release date: | 2018-07-04 | Identifier: | 9-{5-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-deoxy-alpha-D-threo-pentofuranosyl}-9H-purin-6-amine |
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![GK9 GK9](https://data.pdbj.org/pdbjplus/data/cc/svg/GK9.svg) | GK9 | Name: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline | Formula: | C16 H14 Cl N3 O2 | SMILES: | c1(Cl)nc4c(c(n1)N3CCCc2cc(ccc23)OC)occ4 | InChi: | InChI=1S/C16H14ClN3O2/c1-21-11-4-5-13-10(9-11)3-2-7-20(13)15-14-12(6-8-22-14)18-16(17)19-15/h4-6,8-9H,2-3,7H2,1H3 | Definition date: | 2017-12-15 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline |
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![E3Y E3Y](https://data.pdbj.org/pdbjplus/data/cc/svg/E3Y.svg) | E3Y | Name: | 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine | Formula: | C17 H15 Cl N4 O | SMILES: | c2(nc1ncccc1c(n2)N4c3ccc(cc3CCC4)OC)Cl | InChi: | InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-13-5-2-8-19-15(13)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3 | Definition date: | 2017-11-30 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine |
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![E44 E44](https://data.pdbj.org/pdbjplus/data/cc/svg/E44.svg) | E44 | Name: | 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine | Formula: | C17 H15 Cl N4 O | SMILES: | c2(Cl)nc1cccnc1c(n2)N4c3ccc(cc3CCC4)OC | InChi: | InChI=1S/C17H15ClN4O/c1-23-12-6-7-14-11(10-12)4-3-9-22(14)16-15-13(5-2-8-19-15)20-17(18)21-16/h2,5-8,10H,3-4,9H2,1H3 | Definition date: | 2017-12-01 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine |
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![E9Y E9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/E9Y.svg) | E9Y | Name: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline | Formula: | C17 H18 N4 O2 | SMILES: | c1cc4c(cc1OC)CCCN4c2c3c(nc(C)n2)onc3C | InChi: | InChI=1S/C17H18N4O2/c1-10-15-16(18-11(2)19-17(15)23-20-10)21-8-4-5-12-9-13(22-3)6-7-14(12)21/h6-7,9H,4-5,8H2,1-3H3 | Definition date: | 2017-12-15 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline |
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![K70 K70](https://data.pdbj.org/pdbjplus/data/cc/svg/K70.svg) | K70 | Name: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium | Formula: | C19 H16 N3 O2 S | SMILES: | C(=O)(NO)c4ccc(C[n+]3c1ccccc1sc2cccnc23)cc4 | InChi: | InChI=1S/C19H15N3O2S/c23-19(21-24)14-9-7-13(8-10-14)12-22-15-4-1-2-5-16(15)25-17-6-3-11-20-18(17)22/h1-11,25H,12H2,(H-,21,23,24)/p+1 | Definition date: | 2017-06-17 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 10-{[4-(hydroxycarbamoyl)phenyl]methyl}-5lambda~4~-pyrido[3,2-b][1,4]benzothiazin-10-ium |
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![CUG CUG](https://data.pdbj.org/pdbjplus/data/cc/svg/CUG.svg) | CUG | Name: | (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C14 H17 N5 O7 S2 | SMILES: | N(C(C(=O)O)C1NC(C(O)=O)=C(CO)CS1)C(C(=NOC)c2csc(N)n2)=O | InChi: | InChI=1S/C14H17N5O7S2/c1-26-19-8(6-4-28-14(15)16-6)10(21)17-9(13(24)25)11-18-7(12(22)23)5(2-20)3-27-11/h4,9,11,18,20H,2-3H2,1H3,(H2,15,16)(H,17,21)(H,22,23)(H,24,25)/b19-8+/t9-,11-/m1/s1 | Definition date: | 2017-10-03 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (2R)-2-[(S)-{[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-(hydroxymethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![EFV EFV](https://data.pdbj.org/pdbjplus/data/cc/svg/EFV.svg) | EFV | Name: | {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | Formula: | C19 H16 N6 O3 | SMILES: | COc1c(ncc(c1)c3ccc2C(N(Cc2n3)c4cn(nc4)CC#N)=O)OC | InChi: | InChI=1S/C19H16N6O3/c1-27-17-7-12(8-21-18(17)28-2)15-4-3-14-16(23-15)11-25(19(14)26)13-9-22-24(10-13)6-5-20/h3-4,7-10H,6,11H2,1-2H3 | Definition date: | 2018-01-09 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile |
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![EL8 EL8](https://data.pdbj.org/pdbjplus/data/cc/svg/EL8.svg) | EL8 | Name: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide | Formula: | C18 H20 F3 N3 O5 | SMILES: | C[CH](CCCCC(=O)NO)NC1=C(Nc2ccc(OC(F)(F)F)cc2)C(=O)C1=O | InChi: | InChI=1S/C18H20F3N3O5/c1-10(4-2-3-5-13(25)24-28)22-14-15(17(27)16(14)26)23-11-6-8-12(9-7-11)29-18(19,20)21/h6-10,22-23,28H,2-5H2,1H3,(H,24,25)/t10-/m1/s1 | Definition date: | 2018-03-26 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (6~{R})-6-[[3,4-bis(oxidanylidene)-2-[[4-(trifluoromethyloxy)phenyl]amino]cyclobuten-1-yl]amino]-~{N}-oxidanyl-heptanamide |
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![ELE ELE](https://data.pdbj.org/pdbjplus/data/cc/svg/ELE.svg) | ELE | Name: | 2-keto 3 deoxy 6 phospho gluconate | Formula: | C6 H11 O9 P | SMILES: | O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O | InChi: | InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1 | Definition date: | 2018-03-26 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (4~{S},5~{R})-4,5-bis(oxidanyl)-2-oxidanylidene-6-phosphonooxy-hexanoic acid |
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![LFV LFV](https://data.pdbj.org/pdbjplus/data/cc/svg/LFV.svg) | LFV | Name: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide | Formula: | C28 H19 Cl2 F4 N5 O3 | SMILES: | c5(ccc(c1oc(nn1)c4ccc(C(=O)NC(c2ccc(Cl)cc2Cl)Cn3ccnc3)cc4)c(c5)F)OCC(F)(F)F | InChi: | InChI=1S/C28H19Cl2F4N5O3/c29-18-5-7-20(22(30)11-18)24(13-39-10-9-35-15-39)36-25(40)16-1-3-17(4-2-16)26-37-38-27(42-26)21-8-6-19(12-23(21)31)41-14-28(32,33)34/h1-12,15,24H,13-14H2,(H,36,40)/t24-/m0/s1 | Definition date: | 2018-03-19 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-{5-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3,4-oxadiazol-2-yl}benzamide |
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![F3W F3W](https://data.pdbj.org/pdbjplus/data/cc/svg/F3W.svg) | F3W | Name: | (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile | Formula: | C23 H21 N5 | SMILES: | N#CC=Cc1cccc(c1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 | InChi: | InChI=1S/C23H21N5/c24-12-5-7-16-6-4-8-17(14-16)23-27-20-15-26-22-19(11-13-25-22)21(20)28(23)18-9-2-1-3-10-18/h4-8,11,13-15,18H,1-3,9-10H2,(H,25,26)/b7-5+ | Definition date: | 2018-05-24 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (~{E})-3-[3-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)phenyl]prop-2-enenitrile |
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![F48 F48](https://data.pdbj.org/pdbjplus/data/cc/svg/F48.svg) | F48 | Name: | 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile | Formula: | C21 H21 N5 O | SMILES: | N#CCCc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 | InChi: | InChI=1S/C21H21N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h8-10,12-14H,1-7H2,(H,23,24) | Definition date: | 2018-05-24 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile |
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![F4B F4B](https://data.pdbj.org/pdbjplus/data/cc/svg/F4B.svg) | F4B | Name: | (~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile | Formula: | C21 H19 N5 O | SMILES: | N#CC=Cc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 | InChi: | InChI=1S/C21H19N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h4,7-10,12-14H,1-3,5-6H2,(H,23,24)/b7-4+ | Definition date: | 2018-05-24 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile |
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![9C9 9C9](https://data.pdbj.org/pdbjplus/data/cc/svg/9C9.svg) | 9C9 | Name: | 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide | Formula: | C26 H29 Cl2 N7 O2 | SMILES: | C1(N(CC(/NCC1Cc2c(Cl)cccc2Cl)=N/N(C)C)CC(=O)Nc4cc(c3cnn(C)c3)ccc4)=O | InChi: | InChI=1S/C26H29Cl2N7O2/c1-33(2)32-24-15-35(26(37)18(12-29-24)11-21-22(27)8-5-9-23(21)28)16-25(36)31-20-7-4-6-17(10-20)19-13-30-34(3)14-19/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,29,32)(H,31,36)/t18-/m1/s1 | Definition date: | 2018-03-13 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide |
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![9CC 9CC](https://data.pdbj.org/pdbjplus/data/cc/svg/9CC.svg) | 9CC | Name: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one | Formula: | C16 H20 O5 | SMILES: | c2(cc(cc3CC(CC1CCCC(C)O1)OC(c23)=O)O)O | InChi: | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m1/s1 | Definition date: | 2018-03-14 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one |
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![9CF 9CF](https://data.pdbj.org/pdbjplus/data/cc/svg/9CF.svg) | 9CF | Name: | (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one | Formula: | C16 H20 O5 | SMILES: | C1C(OC(CC1)C)CC2OC(=O)c3c(cc(cc3C2)O)O | InChi: | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13+/m1/s1 | Definition date: | 2018-03-14 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one |
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![9CU 9CU](https://data.pdbj.org/pdbjplus/data/cc/svg/9CU.svg) | 9CU | Name: | (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one | Formula: | C16 H20 O5 | SMILES: | CC3CCCC(CC1Cc2c(C(O1)=O)c(cc(c2)O)O)O3 | InChi: | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12-,13-/m1/s1 | Definition date: | 2018-03-14 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (3R)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one |
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![9CX 9CX](https://data.pdbj.org/pdbjplus/data/cc/svg/9CX.svg) | 9CX | Name: | (3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one | Formula: | C16 H20 O5 | SMILES: | C1(=O)OC(Cc2c1c(cc(c2)O)O)CC3CCCC(O3)C | InChi: | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13-/m0/s1 | Definition date: | 2018-03-14 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (3S)-6,8-dihydroxy-3-{[(2R,6S)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one |
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![9OE 9OE](https://data.pdbj.org/pdbjplus/data/cc/svg/9OE.svg) | 9OE | Name: | (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one | Formula: | C11 H10 N2 O3 S | SMILES: | COc1cc(ccc1O)C=C2SC(=O)N=C2N | InChi: | InChI=1S/C11H10N2O3S/c1-16-8-4-6(2-3-7(8)14)5-9-10(12)13-11(15)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5- | Definition date: | 2017-06-16 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one |
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![A4E A4E](https://data.pdbj.org/pdbjplus/data/cc/svg/A4E.svg) | A4E | Name: | 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone | Formula: | C30 H43 F N5 O3 | SMILES: | C[CH]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc23)[CH](C[NH2+]1)CN5CCOC[CH]5C | InChi: | InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/p+1/t20-,21-,25-/m1/s1 | Definition date: | 2017-08-14 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone |
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![A4H A4H](https://data.pdbj.org/pdbjplus/data/cc/svg/A4H.svg) | A4H | Name: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid | Formula: | C17 H22 O4 | SMILES: | CC1=CC(=O)CC(C)(C)[C]1(O)C=CC(=CC(O)=O)C2CC2 | InChi: | InChI=1S/C17H22O4/c1-11-8-14(18)10-16(2,3)17(11,21)7-6-13(9-15(19)20)12-4-5-12/h6-9,12,21H,4-5,10H2,1-3H3,(H,19,20)/b7-6+,13-9+/t17-/m1/s1 | Definition date: | 2017-08-15 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (2~{Z},4~{E})-3-cyclopropyl-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]penta-2,4-dienoic acid |
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![A4K A4K](https://data.pdbj.org/pdbjplus/data/cc/svg/A4K.svg) | A4K | Name: | (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid | Formula: | C15 H15 F3 O4 | SMILES: | CC1=CC(=O)CC(C)(C)[C]1(O)C#CC(=CC(O)=O)C(F)(F)F | InChi: | InChI=1S/C15H15F3O4/c1-9-6-11(19)8-13(2,3)14(9,22)5-4-10(7-12(20)21)15(16,17)18/h6-7,22H,8H2,1-3H3,(H,20,21)/b10-7+/t14-/m1/s1 | Definition date: | 2017-08-15 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid |
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![A97 A97](https://data.pdbj.org/pdbjplus/data/cc/svg/A97.svg) | A97 | Name: | N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide | Formula: | C31 H39 N7 O2 | SMILES: | c4(c2ccnc(N1CCN(CC1)C)c2)cc(C(NCC3=C(CCC)C=C(NC3=O)C)=O)c5c(c4)n(C(C)C)nc5 | InChi: | InChI=1S/C31H39N7O2/c1-6-7-23-14-21(4)35-31(40)26(23)18-33-30(39)25-15-24(16-28-27(25)19-34-38(28)20(2)3)22-8-9-32-29(17-22)37-12-10-36(5)11-13-37/h8-9,14-17,19-20H,6-7,10-13,18H2,1-5H3,(H,33,39)(H,35,40) | Definition date: | 2017-07-12 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide |
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