 | | 1OI | | 表記: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | | 組成式: | C12 H9 N O2 S | | SMILES: | COc1ccc2C(=O)Nc3sccc3c2c1 | | InChi: | InChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14) | | 定義日: | 2021-06-14 | | 最終更新日: | 2021-12-03 | | 公開日: | 2021-12-08 | | 識別子（ID）: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
|
 | | 1H9 | | 表記: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one | | 組成式: | C18 H12 Br N O2 S | | SMILES: | Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1 | | InChi: | InChI=1S/C18H12BrNO2S/c19-12-3-1-2-11(8-12)10-22-13-4-5-14-16(9-13)15-6-7-23-18(15)20-17(14)21/h1-9H,10H2,(H,20,21) | | 定義日: | 2021-06-10 | | 最終更新日: | 2021-12-03 | | 公開日: | 2021-12-08 | | 識別子（ID）: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one |
|
 | | 53D | | 表記: | 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide | | 組成式: | C24 H34 F N5 O2 | | SMILES: | CCN1CCN(CC1)c2cc3N(C=C(C(=O)NCCCN(C)C)C(=O)c3cc2F)C4CC4 | | InChi: | InChI=1S/C24H34FN5O2/c1-4-28-10-12-29(13-11-28)22-15-21-18(14-20(22)25)23(31)19(16-30(21)17-6-7-17)24(32)26-8-5-9-27(2)3/h14-17H,4-13H2,1-3H3,(H,26,32) | | 定義日: | 2021-08-19 | | 最終更新日: | 2021-11-26 | | 公開日: | 2021-12-01 | | 識別子（ID）: | 1-cyclopropyl-~{N}-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide |
|
 | | 92W | | 表記: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one | | 組成式: | C18 H24 N4 O3 S | | SMILES: | O=S(=O)(c1cccc2cncc(C)c21)N1CCCN(CC1C)C(=O)CN | | InChi: | InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1 | | 定義日: | 2021-10-04 | | 最終更新日: | 2021-11-26 | | 公開日: | 2021-12-01 | | 識別子（ID）: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one |
|
 | | 93I | | 表記: | 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one | | 組成式: | C21 H24 N4 O2 | | SMILES: | CC(Nc1ccccc1)C1=CC(C)=CN2C1=NC(=CC2=O)N1CCOCC1 | | InChi: | InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1 | | 定義日: | 2021-10-04 | | 最終更新日: | 2021-11-26 | | 公開日: | 2021-12-01 | | 識別子（ID）: | (5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
|
 | | H8O | | 表記: | (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol | | 組成式: | C17 H16 F6 N2 O | | SMILES: | O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m0/s1 | | 定義日: | 2020-11-27 | | 最終更新日: | 2021-11-26 | | 公開日: | 2021-12-01 | | 識別子（ID）: | (~{S})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol |
|
 | | S95 | | 表記: | isoquinoline-5-sulfonic acid | | 組成式: | C9 H7 N O3 S | | SMILES: | O[S](=O)(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13) | | 定義日: | 2020-11-12 | | 最終更新日: | 2021-11-19 | | 公開日: | 2021-11-24 | | 識別子（ID）: | isoquinoline-5-sulfonic acid |
|
 | | S9B | | 表記: | isoquinoline-5-carboxylic acid | | 組成式: | C10 H7 N O2 | | SMILES: | OC(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13) | | 定義日: | 2020-11-12 | | 最終更新日: | 2021-11-19 | | 公開日: | 2021-11-24 | | 識別子（ID）: | isoquinoline-5-carboxylic acid |
|
 | | 7IK | | 表記: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one | | 組成式: | C14 H22 N4 O2 | | SMILES: | CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C | | InChi: | InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1 | | 定義日: | 2021-08-12 | | 最終更新日: | 2021-11-19 | | 公開日: | 2021-11-24 | | 識別子（ID）: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
|
 | | 7IQ | | 表記: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one | | 組成式: | C14 H20 N4 O2 | | SMILES: | O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C | | InChi: | InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1 | | 定義日: | 2021-08-12 | | 最終更新日: | 2021-11-19 | | 公開日: | 2021-11-24 | | 識別子（ID）: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one |
|
 | | ZR1 | | 表記: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol | | 組成式: | C22 H23 F3 N4 O3 | | SMILES: | FC(F)c1cc(OC2CC(C(O)C2O)n2ccc3c(C)ncnc32)c2CNCCc2c1F | | InChi: | InChI=1S/C22H23F3N4O3/c1-10-11-3-5-29(22(11)28-9-27-10)15-7-17(20(31)19(15)30)32-16-6-13(21(24)25)18(23)12-2-4-26-8-14(12)16/h3,5-6,9,15,17,19-21,26,30-31H,2,4,7-8H2,1H3/t15-,17+,19+,20-/m1/s1 | | 定義日: | 2021-05-21 | | 最終更新日: | 2021-11-12 | | 公開日: | 2021-11-17 | | 識別子（ID）: | (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol |
|
 | | YA3 | | 表記: | 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide | | 組成式: | C41 H41 Cl N12 O6 S | | SMILES: | Cc8c(C)c7C(c1ccc(Cl)cc1)=NC(CC(=O)NCc5cn(CCCCNC(CNc2cccc3c2C(N(C3=O)C4C(NC(CC4)=O)=O)=O)=O)nn5)c6nnc(n6c7s8)C | | InChi: | InChI=1S/C41H41ClN12O6S/c1-21-22(2)61-41-34(21)36(24-9-11-25(42)12-10-24)46-29(37-50-48-23(3)53(37)41)17-32(56)45-18-26-20-52(51-49-26)16-5-4-15-43-33(57)19-44-28-8-6-7-27-35(28)40(60)54(39(27)59)30-13-14-31(55)47-38(30)58/h6-12,20,29-30,44H,4-5,13-19H2,1-3H3,(H,43,57)(H,45,56)(H,47,55,58)/t29-,30?/m0/s1 | | 定義日: | 2020-05-11 | | 最終更新日: | 2021-11-12 | | 公開日: | 2021-11-17 | | 識別子（ID）: | N-(4-{4-[({[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetyl}amino)methyl]-1H-1,2,3-triazol-1-yl}butyl)-N~2~-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]glycinamide |
|
 | | 0NI | | 表記: | Aurachin D | | 組成式: | C25 H33 N O | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)Nc2ccccc2C1=O | | InChi: | InChI=1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16- | | 別名: | 2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one | | 定義日: | 2021-06-09 | | 最終更新日: | 2021-11-12 | | 公開日: | 2021-11-17 | | 識別子（ID）: | 2-methyl-3-[(6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]-1~{H}-quinolin-4-one |
|
 | | H7R | | 表記: | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline | | 組成式: | C18 H21 N3 O S3 | | SMILES: | COc1ccc2nc3sc(SC)nc3c(SCC4CCNCC4)c2c1 | | InChi: | InChI=1S/C18H21N3OS3/c1-22-12-3-4-14-13(9-12)16(24-10-11-5-7-19-8-6-11)15-17(20-14)25-18(21-15)23-2/h3-4,9,11,19H,5-8,10H2,1-2H3 | | 定義日: | 2020-11-24 | | 最終更新日: | 2021-11-12 | | 公開日: | 2021-11-17 | | 識別子（ID）: | 7-methoxy-2-methylsulfanyl-9-(piperidin-4-ylmethylsulfanyl)-[1,3]thiazolo[5,4-b]quinoline |
|
 | | TUH | | 表記: | 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one | | 組成式: | C20 H20 N4 O3 | | SMILES: | O=C1N(C(=NN1)c2c(O)cc(O)c(c2)C(C)C)c4cc3ccn(c3cc4)C | | InChi: | InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27) | | 別名: | Ganetespib | | 定義日: | 2011-10-07 | | 最終更新日: | 2021-11-08 | | 公開日: | 2012-09-14 | | 識別子（ID）: | 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | H3F | | 表記: | Tafenoquine | | 組成式: | C24 H28 F3 N3 O3 | | SMILES: | COc1cc(C)c2c(Oc3cccc(c3)C(F)(F)F)c(OC)cc(N[CH](C)CCCN)c2n1 | | InChi: | InChI=1S/C24H28F3N3O3/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3/t15-/m0/s1 | | 別名: | (4S)-N4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine | | 定義日: | 2020-10-30 | | 最終更新日: | 2021-11-05 | | 公開日: | 2021-11-10 | | 識別子（ID）: | (4~{S})-~{N}4-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine |
|
 | | I9G | | 表記: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3
-c]isoquinoline | | 組成式: | C26 H33 N7 O7 S | | SMILES: | C7(O)C(O)C(N1CCN(CC1)c2c3c(nnn2)c4c(s3)nc(c5c4CCCC5)N6CCOCC6)OC(C7O)C(=O)O | | InChi: | InChI=1S/C26H33N7O7S/c34-17-18(35)20(26(37)38)40-25(19(17)36)33-7-5-31(6-8-33)23-21-16(28-30-29-23)15-13-3-1-2-4-14(13)22(27-24(15)41-21)32-9-11-39-12-10-32/h17-20,25,34-36H,1-12H2,(H,37,38)/t17-,18-,19+,20-,25+/m0/s1 | | 別名: | UNC10201652-glucuronic acid conjugate | | 定義日: | 2017-11-15 | | 最終更新日: | 2021-11-05 | | 公開日: | 2021-11-10 | | 識別子（ID）: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline |
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 | | ZRP | | 表記: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide | | 組成式: | C23 H28 N4 O | | SMILES: | CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)NCCCCCC | | InChi: | InChI=1S/C23H28N4O/c1-3-4-5-9-14-25-18-12-13-21-19(15-18)22(20(16-26-21)23(28)24-2)27-17-10-7-6-8-11-17/h6-8,10-13,15-16,25H,3-5,9,14H2,1-2H3,(H,24,28)(H,26,27) | | 定義日: | 2021-05-25 | | 最終更新日: | 2021-10-29 | | 公開日: | 2021-11-03 | | 識別子（ID）: | 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide |
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 | | ZRV | | 表記: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide | | 組成式: | C30 H28 F2 N4 O2 | | SMILES: | CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc3)c(cnc2cc1F)C(=O)NC1CC1 | | InChi: | InChI=1S/C30H28F2N4O2/c1-2-3-13-33-29(37)21-12-9-18(14-25(21)31)22-15-23-27(16-26(22)32)34-17-24(30(38)36-20-10-11-20)28(23)35-19-7-5-4-6-8-19/h4-9,12,14-17,20H,2-3,10-11,13H2,1H3,(H,33,37)(H,34,35)(H,36,38) | | 定義日: | 2021-05-27 | | 最終更新日: | 2021-10-29 | | 公開日: | 2021-11-03 | | 識別子（ID）: | 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide |
|
 | | 86C | | 表記: | 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide | | 組成式: | C21 H17 Cl F N5 O2 S | | SMILES: | Fc1cccc(Cl)c1Nc1cc2cnn(c3cc(sc3)C(=O)NC3COC3)c2nc1C | | InChi: | InChI=1S/C21H17ClFN5O2S/c1-11-17(27-19-15(22)3-2-4-16(19)23)5-12-7-24-28(20(12)25-11)14-6-18(31-10-14)21(29)26-13-8-30-9-13/h2-7,10,13,27H,8-9H2,1H3,(H,26,29) | | 定義日: | 2021-09-08 | | 最終更新日: | 2021-10-29 | | 公開日: | 2021-11-03 | | 識別子（ID）: | 4-[5-(2-chloro-6-fluoroanilino)-6-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide |
|
 | | 1I8 | | 表記: | (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | | 組成式: | C33 H41 Cl N6 O2 | | SMILES: | Clc1ccc(C[CH](NC(=O)[CH]2Cc3ccccc3CN2)C(=O)N4CCC(CC4)(Cn5cncn5)C6CCCCC6)cc1 | | InChi: | InChI=1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1 | | 定義日: | 2021-06-23 | | 最終更新日: | 2021-10-29 | | 公開日: | 2021-11-03 | | 識別子（ID）: | (3~{R})-~{N}-[(2~{R})-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
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 | | 1J0 | | 表記: | Collinone | | 組成式: | C27 H18 O12 | | SMILES: | COC1=CC(=O)C2=C(C1=O)C(=O)C3=C(O)[C]4(O)c5c(O)c6C(=O)OC(=Cc6cc5CC[C]4(O)C(=C3C2=O)O)C | | InChi: | InChI=1S/C27H18O12/c1-8-5-10-6-9-3-4-26(36)23(33)16-17(24(34)27(26,37)18(9)22(32)13(10)25(35)39-8)21(31)15-14(20(16)30)11(28)7-12(38-2)19(15)29/h5-7,32-34,36-37H,3-4H2,1-2H3/t26-,27+/m0/s1 | | 別名: | 135469160 | | 定義日: | 2021-06-12 | | 最終更新日: | 2021-10-29 | | 公開日: | 2021-11-03 |
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 | | 5I4 | | 表記: | ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide | | 組成式: | C23 H19 F3 N6 O3 S2 | | SMILES: | Nc1nccc(n1)c2sc(nc2c3cccc(N[S](=O)(=O)c4cc(F)ccc4F)c3F)[CH]5COCCN5 | | InChi: | InChI=1S/C23H19F3N6O3S2/c24-12-4-5-14(25)18(10-12)37(33,34)32-15-3-1-2-13(19(15)26)20-21(16-6-7-29-23(27)30-16)36-22(31-20)17-11-35-9-8-28-17/h1-7,10,17,28,32H,8-9,11H2,(H2,27,29,30)/t17-/m0/s1 | | 定義日: | 2021-07-09 | | 最終更新日: | 2021-10-29 | | 公開日: | 2021-11-03 | | 識別子（ID）: | ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide |
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 | | PG1 | | 表記: | PENICILLIN G ACYL-SERINE | | 組成式: | C19 H23 N3 O7 S | | SMILES: | O=C(NC(C(=O)OCC(C([O-])=O)N)C1SC(C(N1)C([O-])=O)(C)C)Cc2ccccc2 | | InChi: | InChI=1S/C19H25N3O7S/c1-19(2)14(17(26)27)22-15(30-19)13(18(28)29-9-11(20)16(24)25)21-12(23)8-10-6-4-3-5-7-10/h3-7,11,13-15,22H,8-9,20H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/p-2/t11-,13-,14-,15+/m0/s1 | | 定義日: | 2002-10-07 | | 最終更新日: | 2021-10-28 | | 識別子（ID）: | (2R,4S)-2-{(1R)-2-[(2S)-2-amino-2-carboxylatoethoxy]-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylate |
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 | | 86Q | | 表記: | 5,6-Dihydro-benzo[H]cinnolin-3-ylamine | | 組成式: | C12 H11 N3 | | SMILES: | Nc1cc2CCc3ccccc3c2nn1 | | InChi: | InChI=1S/C12H11N3/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)15-14-11/h1-4,7H,5-6H2,(H2,13,14) | | 定義日: | 2021-09-08 | | 最終更新日: | 2021-10-22 | | 公開日: | 2021-09-15 | | 識別子（ID）: | 5,6-dihydrobenzo[h]cinnolin-3-amine |
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