| E2L | 表記: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine | 組成式: | C20 H23 Cl N2 O | SMILES: | Clc1ccc2Oc3ccccc3N(CCC[CH]4CCCNC4)c2c1 | InChi: | InChI=1S/C20H23ClN2O/c21-16-9-10-20-18(13-16)23(17-7-1-2-8-19(17)24-20)12-4-6-15-5-3-11-22-14-15/h1-2,7-10,13,15,22H,3-6,11-12,14H2/t15-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine |
|
| E2O | 表記: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine | 組成式: | C19 H22 Cl N3 O | SMILES: | Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1 | InChi: | InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1 | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine |
|
| E2R | 表記: | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine | 組成式: | C19 H21 Cl N2 O | SMILES: | N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24 | InChi: | InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15- | 定義日: | 2019-10-02 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine |
|
| H88 | 表記: | ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide | 組成式: | C29 H26 N4 O5 S | SMILES: | Cc1ccc(cc1NC(=O)CCO)N2C(=O)C=Cc3cnc4cc(ccc4c23)c5ccc(N[S](C)(=O)=O)cc5 | InChi: | InChI=1S/C29H26N4O5S/c1-18-3-10-23(16-25(18)31-27(35)13-14-34)33-28(36)12-7-21-17-30-26-15-20(6-11-24(26)29(21)33)19-4-8-22(9-5-19)32-39(2,37)38/h3-12,15-17,32,34H,13-14H2,1-2H3,(H,31,35) | 定義日: | 2018-11-23 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[2-methyl-5-[8-[4-(methylsulfonylamino)phenyl]-2-oxidanylidene-benzo[h][1,6]naphthyridin-1-yl]phenyl]-3-oxidanyl-propanamide |
|
| 017 | 表記: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | 組成式: | C27 H37 N3 O7 S | SMILES: | O=S(=O)(c1ccc(N)cc1)N(CC(C)C)CC(O)C(NC(=O)OC2COC3OCCC23)Cc4ccccc4 | InChi: | InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1 | 別名: | Darunavir | 定義日: | 2004-01-27 | 最終更新日: | 2020-05-22 | 識別子(ID): | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate |
|
| 032 | 表記: | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | 組成式: | C23 H18 Cl F2 N3 O3 S | SMILES: | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4ccc(Cl)cc4)CCC | InChi: | InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28) | 別名: | Vemurafenib | 定義日: | 2010-08-17 | 最終更新日: | 2020-05-22 | 識別子(ID): | N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide |
|
| LLE | 表記: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide | 組成式: | C23 H39 N2 O13 P S | SMILES: | CC(=O)CC(O)=CC(O)=CC(O)=CC(=O)C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[PH](O)(O)O | InChi: | InChI=1S/C23H39N2O13PS/c1-14(26)8-15(27)9-16(28)10-17(29)11-18(30)12-20(32)40-7-6-24-19(31)4-5-25-22(34)21(33)23(2,3)13-38-39(35,36)37/h9-11,20-21,27-29,32-33,35-37,39H,4-8,12-13H2,1-3H3,(H,24,31)(H,25,34)/b15-9-,16-10-,17-11-/t20-,21+/m1/s1 | 定義日: | 2019-08-22 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide |
|
| NQP | 表記: | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide | 組成式: | C31 H42 N6 O4 | SMILES: | [C@H](=C)CCN5c3ccc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CCOCC4)C(C5=O)C | InChi: | InChI=1S/C31H42N6O4/c1-5-6-15-36-26-9-10-28(34-29(26)37(21(2)31(36)39)24-13-18-41-19-14-24)33-25-8-7-22(20-27(25)40-4)30(38)32-23-11-16-35(3)17-12-23/h5,7-10,20-21,23-24H,1,6,11-19H2,2-4H3,(H,32,38)(H,33,34)/t21-/m1/s1 | 定義日: | 2019-05-24 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
|
| NQV | 表記: | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide | 組成式: | C30 H42 N6 O3 | SMILES: | c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC(C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O | InChi: | InChI=1S/C30H42N6O3/c1-19(2)39-26-18-21(29(37)31-22-14-16-34(4)17-15-22)10-11-24(26)32-27-13-12-25-28(33-27)36(23-8-6-7-9-23)20(3)30(38)35(25)5/h10-13,18-20,22-23H,6-9,14-17H2,1-5H3,(H,31,37)(H,32,33)/t20-/m1/s1 | 定義日: | 2019-05-24 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide |
|
| NQY | 表記: | 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide | 組成式: | C26 H34 N6 O3 | SMILES: | c2c1N(C(=O)C5CCCCN5c1nc(c2)Nc4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C | InChi: | InChI=1S/C26H34N6O3/c1-30-14-11-18(12-15-30)27-25(33)17-7-8-19(22(16-17)35-3)28-23-10-9-20-24(29-23)32-13-5-4-6-21(32)26(34)31(20)2/h7-10,16,18,21H,4-6,11-15H2,1-3H3,(H,27,33)(H,28,29)/t21-/m1/s1 | 定義日: | 2019-05-24 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide |
|
| NWG | 表記: | 5-[(diaminomethylidene)amino]-2-oxopentanoic acid | 組成式: | C6 H11 N3 O3 | SMILES: | C(=O)(C(O)=O)CCCN=C(/N)N | InChi: | InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9) | 定義日: | 2019-05-29 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 5-[(diaminomethylidene)amino]-2-oxopentanoic acid |
|
| NZY | 表記: | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) | 組成式: | C14 H25 N O10 | SMILES: | C(OCC1C(C(C(CO1)NC(=O)C)O)O)C2(C(C(O)C(CO)O2)O)O | InChi: | InChI=1S/C14H25NO10/c1-6(17)15-7-3-24-9(11(19)10(7)18)4-23-5-14(22)13(21)12(20)8(2-16)25-14/h7-13,16,18-22H,2-5H2,1H3,(H,15,17)/t7-,8+,9+,10+,11+,12+,13-,14-/m0/s1 | 定義日: | 2019-05-30 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-({[(2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]methoxy}methyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) |
|
| O2H | 表記: | ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | 組成式: | C31 H32 N4 O5 | SMILES: | CCCC1=Nc2ccc(NC(=O)Cc3ncc(Oc4ccnc5cc(OC)ccc45)cc3OC)cc2C(C)(C)O1 | InChi: | InChI=1S/C31H32N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,6-7,17H2,1-5H3,(H,34,36) | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-(4,4-dimethyl-2-propyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide |
|
| O2K | 表記: | ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide | 組成式: | C29 H30 N4 O5 | SMILES: | CCC(=O)NCc1cc(C)cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)ccc34)cc2OC)c1 | InChi: | InChI=1S/C29H30N4O5/c1-5-28(34)32-16-19-10-18(2)11-20(12-19)33-29(35)15-25-27(37-4)14-22(17-31-25)38-26-8-9-30-24-13-21(36-3)6-7-23(24)26/h6-14,17H,5,15-16H2,1-4H3,(H,32,34)(H,33,35) | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[[3-[2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanoylamino]-5-methyl-phenyl]methyl]propanamide |
|
| O35 | 表記: | ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | 組成式: | C28 H30 N4 O4 | SMILES: | COc1ccc2c(Oc3cnc(CC(=O)Nc4cc(C)cc(CN(C)C)c4)c(OC)c3)ccnc2c1 | InChi: | InChI=1S/C28H30N4O4/c1-18-10-19(17-32(2)3)12-20(11-18)31-28(33)15-25-27(35-5)14-22(16-30-25)36-26-8-9-29-24-13-21(34-4)6-7-23(24)26/h6-14,16H,15,17H2,1-5H3,(H,31,33) | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-[3-[(dimethylamino)methyl]-5-methyl-phenyl]-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide |
|
| O3E | 表記: | ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide | 組成式: | C31 H28 N4 O5 | SMILES: | COc1ccc2c(Oc3cnc(CC(=O)Nc4ccc5N=C(OC(C)(C)c5c4)C#CC)c(OC)c3)ccnc2c1 | InChi: | InChI=1S/C31H28N4O5/c1-6-7-30-35-24-11-8-19(14-23(24)31(2,3)40-30)34-29(36)17-26-28(38-5)16-21(18-33-26)39-27-12-13-32-25-15-20(37-4)9-10-22(25)27/h8-16,18H,17H2,1-5H3,(H,34,36) | 定義日: | 2020-01-22 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | ~{N}-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-(7-methoxyquinolin-4-yl)oxy-pyridin-2-yl]ethanamide |
|
| Q5Z | 表記: | 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine | 組成式: | C26 H30 N2 O3 | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCNCC4 | InChi: | InChI=1S/C26H30N2O3/c1-17-22(20-7-5-18(6-8-20)19-9-11-27-12-10-19)15-28-16-23(17)21-13-24(29-2)26(31-4)25(14-21)30-3/h5-8,13-16,19,27H,9-12H2,1-4H3 | 定義日: | 2020-05-19 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine |
|
| QLA | 表記: | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione | 組成式: | C16 H10 F N O3 | SMILES: | C1(c3c(C(C(=C1O)Nc2ccc(cc2)F)=O)cccc3)=O | InChi: | InChI=1S/C16H10FNO3/c17-9-5-7-10(8-6-9)18-13-14(19)11-3-1-2-4-12(11)15(20)16(13)21/h1-8,18,21H | 定義日: | 2019-11-14 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 2-[(4-fluorophenyl)amino]-3-hydroxynaphthalene-1,4-dione |
|
| R0J | 表記: | 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one | 組成式: | C20 H18 Cl F3 N6 O | SMILES: | C(N3C(N(C1CC1)c2c3cncc2)=O)c5n(CCCC(F)(F)F)c4c(nc(Cl)cc4)n5 | InChi: | InChI=1S/C20H18ClF3N6O/c21-16-5-4-14-18(26-16)27-17(28(14)9-1-7-20(22,23)24)11-29-15-10-25-8-6-13(15)30(19(29)31)12-2-3-12/h4-6,8,10,12H,1-3,7,9,11H2 | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one |
|
| R0P | 表記: | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one | 組成式: | C21 H23 N5 O3 S | SMILES: | C(N3C(N(C1CC1)c2c3cncc2)=O)c5cc4cnccc4n5CCCS(C)(=O)=O | InChi: | InChI=1S/C21H23N5O3S/c1-30(28,29)10-2-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)27)16-3-4-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3 | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one |
|
| R0S | 表記: | 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile | 組成式: | C27 H24 Cl N5 O3 | SMILES: | COc5c(ccc(N4C(N(Cc2cc1c(ccc(Cl)c1)n2CCCC#N)c3cnccc34)=O)c5)OC | InChi: | InChI=1S/C27H24ClN5O3/c1-35-25-8-6-20(15-26(25)36-2)33-23-9-11-30-16-24(23)32(27(33)34)17-21-14-18-13-19(28)5-7-22(18)31(21)12-4-3-10-29/h5-9,11,13-16H,3-4,12,17H2,1-2H3 | 定義日: | 2020-01-21 | 最終更新日: | 2020-05-22 | 公開日: | 2020-05-27 | 識別子(ID): | 4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile |
|
| P4J | 表記: | [(2~{R},3~{R},4~{R},5~{S})-2-(5-azanylimidazol-1-yl)-4-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxy-bis(oxidanyl)vanadio]oxy-5-[[bis(oxidanyl)-[tris(oxidanyl)vanadiooxy]vanadio]oxymethyl]oxolan-3-yl]oxy-tris(oxidanyl)vanadium | 組成式: | C8 H9 N2 O22 V6 | SMILES: | C1(C(O[V](O)(O)O)C(O[V](O)(O)O[V](O)(O)O[V](O)(O)O)C(CO[V](O)(O)O[V](O)(O)O)O1)n2ccnc2 | InChi: | InChI=1S/C8H9N2O4.15H2O.3O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10 | 定義日: | 2019-07-30 | 最終更新日: | 2020-05-18 | 公開日: | 2020-04-29 | 識別子(ID): | vanadium(4+) hydroxide dihydroxy(dioxido)vanadium (2R,3R,4R,5S)-2-(1H-imidazol-1-yl)-5-(oxidomethyl)tetrahydrofuran-3,4-diolate trihydroxy(oxido)vanadium (4:10:1:1:1) (non-preferred name) |
|
| UAY | 表記: | 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione | 組成式: | C13 H8 N2 O2 S | SMILES: | c1(ccccc1)c3sc2c(C(NC(C/2=N)=O)=O)c3 | InChi: | InChI=1S/C13H8N2O2S/c14-10-11-8(12(16)15-13(10)17)6-9(18-11)7-4-2-1-3-5-7/h1-6,14H,(H,15,16,17)/b14-10- | 定義日: | 2020-05-06 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | (7E)-7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione |
|
| UBG | 表記: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | 組成式: | C27 H34 N9 O18 P3 | SMILES: | P(O)(OP(OCC(C(C(CN2c3c(N=C1C(NC(N=C12)=O)=O)cc(c(C)c3)C)O)O)O)(O)=O)(=O)OCC4OC(C(C4OP(=O)(O)O)O)n5c6c(nc5)c(N)ncn6 | InChi: | InChI=1S/C27H34N9O18P3/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(41)34-27(42)33-24)5-14(37)19(39)15(38)6-50-56(46,47)54-57(48,49)51-7-16-21(53-55(43,44)45)20(40)26(52-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-40H,5-7H2,1-2H3,(H,46,47)(H,48,49)(H2,28,29,30)(H,34,41,42)(H2,43,44,45)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | 定義日: | 2020-05-06 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
|
| YF2 | 表記: | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | 組成式: | C30 H28 N6 O3 S | SMILES: | CC(n1ccc2c1cc(cc2NS(CC)(=O)=O)c3cn(C)c4c3C=CNC4=O)(c5ccccn5)c6ncccc6 | InChi: | InChI=1S/C30H28N6O3S/c1-4-40(38,39)34-24-17-20(23-19-35(3)28-21(23)11-15-33-29(28)37)18-25-22(24)12-16-36(25)30(2,26-9-5-7-13-31-26)27-10-6-8-14-32-27/h5-19,34H,4H2,1-3H3,(H,33,37) | 定義日: | 2019-05-20 | 最終更新日: | 2020-05-15 | 公開日: | 2020-05-20 | 識別子(ID): | N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide |
|