 | | 2ZE | | 表記: | (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthale
ne-3,9-diol | | 組成式: | C20 H34 O4 | | SMILES: | OCC4(O)C3CC2C(C1(C(C(C)(CO)C(O)CC1)CC2)C)(C3)CC4 | | InChi: | InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1 | | 別名: | Aphidicolin | | 定義日: | 2014-05-01 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-11-26 | | 識別子（ID）: | (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol |
|
 | | 2ZO | | 表記: | N,N,N-trimethyl-4-oxobutan-1-aminium | | 組成式: | C7 H16 N O | | SMILES: | O=CCCC[N+](C)(C)C | | InChi: | InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1 | | 別名: | 4-N-trimethylaminobutyraldehyde | | 定義日: | 2014-05-01 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-05-21 | | 識別子（ID）: | N,N,N-trimethyl-4-oxobutan-1-aminium |
|
 | | 300 | | 表記: | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE | | 組成式: | C8 H9 O6 P | | SMILES: | O=Cc1cccc(OC)c1OP(=O)(O)O | | InChi: | InChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12) | | 別名: | RU78300 | | 定義日: | 2003-06-20 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-formyl-6-methoxyphenyl dihydrogen phosphate |
|
 | | 308 | | 表記: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine | | 組成式: | C10 H17 N | | SMILES: | NC12CC3CC(C1)CC(C2)C3 | | InChi: | InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10- | | 別名: | Amantadine | | 定義日: | 2008-02-21 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine |
|
 | | IRB | | 表記: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid | | 組成式: | C17 H10 Br N3 O4 | | SMILES: | ON=C1C(Nc2ccc(cc12)C(O)=O)=C3C(=O)Nc4c(Br)cccc34 | | InChi: | InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,19,25H,(H,20,22)(H,23,24)/b15-12-,21-14+ | | 別名: | Indirubin-3'-monoxime derivative, (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-[2,3'-biindolinylidene]-5-carboxylic acid | | 定義日: | 2009-12-01 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2Z,3E)-2-(7-bromo-2-oxo-1H-indol-3-ylidene)-3-hydroxyimino-1H-indole-5-carboxylic acid |
|
 | | IRH | | 表記: | isorhamnetin | | 組成式: | C16 H12 O7 | | SMILES: | COc1c(O)ccc(c1)C=3Oc2cc(O)cc(c2C(C=3O)=O)O | | InChi: | InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3 | | 別名: | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one | | 定義日: | 2018-08-30 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-01-23 | | 識別子（ID）: | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one |
|
 | | IRO | | 表記: | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | 組成式: | C5 H3 I N2 O4 | | SMILES: | O=C1NC(C(=O)O)=C(I)C(=O)N1 | | InChi: | InChI=1S/C5H3IN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) | | 別名: | 5-iodoorotic acid | | 定義日: | 2012-11-19 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-11-20 | | 識別子（ID）: | 5-iodo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
|
 | | 30W | | 表記: | N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide | | 組成式: | C9 H7 N5 O3 | | SMILES: | O=C(NC2=Nc1ncc(nc1C(=O)N2)C=O)C | | InChi: | InChI=1S/C9H7N5O3/c1-4(16)11-9-13-7-6(8(17)14-9)12-5(3-15)2-10-7/h2-3H,1H3,(H2,10,11,13,14,16,17) | | 別名: | Acetyl 6-formylpterin | | 定義日: | 2014-05-16 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-07-02 | | 識別子（ID）: | N-(6-formyl-4-oxo-3,4-dihydropteridin-2-yl)acetamide |
|
 | | 31B | | 表記: | benzoyl-oxydephosphocoenzyme A | | 組成式: | C28 H39 N7 O15 P2 | | SMILES: | O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC3OC(c2nc1c(ncnc1n2)N)C(O)C3O)O)O)c4ccccc4 | | InChi: | InChI=1S/C28H39N7O15P2/c1-28(2,22(39)26(40)31-9-8-17(36)30-10-11-46-27(41)15-6-4-3-5-7-15)13-48-52(44,45)50-51(42,43)47-12-16-19(37)20(38)21(49-16)25-34-18-23(29)32-14-33-24(18)35-25/h3-7,14,16,19-22,37-39H,8-13H2,1-2H3,(H,30,36)(H,31,40)(H,42,43)(H,44,45)(H3,29,32,33,34,35)/t16-,19+,20+,21-,22-/m0/s1 | | 別名: | benzoyl-OdCoA | | 定義日: | 2014-05-15 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-05-13 | | 識別子（ID）: | (3S,5S,9R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-8-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl benzoate (non-preferred name) |
|
 | | ISA | | 表記: | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | | 組成式: | C9 H9 I O2 S | | SMILES: | Ic1ccc(cc1)CC(S)C(=O)O | | InChi: | InChI=1S/C9H9IO2S/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8,13H,5H2,(H,11,12)/t8-/m0/s1 | | 別名: | PD150606 | | 定義日: | 1999-07-08 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2S)-3-(4-iodophenyl)-2-sulfanylpropanoic acid |
|
 | | 31I | | 表記: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en
-1-one | | 組成式: | C27 H30 N6 O3 | | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N4N=Cc3ccccc3C4C(C)C | | InChi: | InChI=1S/C27H30N6O3/c1-16(2)24-21-8-6-5-7-19(21)15-31-33(24)23(34)10-9-18-11-17(13-22(35-3)25(18)36-4)12-20-14-30-27(29)32-26(20)28/h5-11,13-16,24H,12H2,1-4H3,(H4,28,29,30,32)/b10-9+/t24-/m0/s1 | | 別名: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-isopropylphthalazin-2(1H)-yl)prop-2-en-1-one | | 定義日: | 2012-04-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-02-08 | | 識別子（ID）: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(propan-2-yl)phthalazin-2(1H)-yl]prop-2-en-1-one |
|
 | | ISJ | | 表記: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid | | 組成式: | C10 H10 O6 | | SMILES: | O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1 | | InChi: | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 | | 別名: | Chorismic Acid | | 定義日: | 2011-08-29 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid |
|
 | | 31S | | 表記: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid | | 組成式: | C23 H19 Cl O2 | | SMILES: | Clc1ccc(cc1)CCC(c3ccc(c2ccccc2)cc3)=CC(=O)O | | InChi: | InChI=1S/C23H19ClO2/c24-22-14-7-17(8-15-22)6-9-21(16-23(25)26)20-12-10-19(11-13-20)18-4-2-1-3-5-18/h1-5,7-8,10-16H,6,9H2,(H,25,26)/b21-16- | | 別名: | PS315 | | 定義日: | 2014-03-11 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-05-28 | | 識別子（ID）: | (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid |
|
 | | ISZ | | 表記: | 4-(DIAZENYLCARBONYL)PYRIDINE | | 組成式: | C6 H5 N3 O | | SMILES: | O=C(N=[N@H])c1ccncc1 | | InChi: | InChI=1S/C6H5N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4,7H/b9-7+ | | 別名: | ISONIAZID | | 定義日: | 2004-08-17 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 4-[(E)-diazenylcarbonyl]pyridine |
|
 | | 326 | | 表記: | 2-{(E)-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFOPHENYL)-1H-PYRAZOL-4-YL]DIAZENYL}-4-SULFOBENZOIC ACID | | 組成式: | C18 H16 N4 O9 S2 | | SMILES: | O=S(=O)(O)c3cc(/N=N/c2c(nn(c1c(cc(cc1)S(=O)(=O)O)C)c2O)C)c(C(=O)O)cc3 | | InChi: | InChI=1S/C18H16N4O9S2/c1-9-7-11(32(26,27)28)4-6-15(9)22-17(23)16(10(2)21-22)20-19-14-8-12(33(29,30)31)3-5-13(14)18(24)25/h3-8,23H,1-2H3,(H,24,25)(H,26,27,28)(H,29,30,31)/b20-19+ | | 別名: | 2-[5-HYDROXY-3-METHYL-1-(2-METHYL-4-SULFO-PHENYL)-1H-PYRAZOL-4-YLAZO]-4-SULFO-BENZOIC ACID | | 定義日: | 2004-06-17 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-{(E)-[5-hydroxy-3-methyl-1-(2-methyl-4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl}-4-sulfobenzoic acid |
|
 | | ITB | | 表記: | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3-DIOXIDE | | 組成式: | C14 H9 N O7 S | | SMILES: | O=C(O)c2cc1ccccc1c3c2S(=O)(=O)N(C3=O)CC(=O)O | | InChi: | InChI=1S/C14H9NO7S/c16-10(17)6-15-13(18)11-8-4-2-1-3-7(8)5-9(14(19)20)12(11)23(15,21)22/h1-5H,6H2,(H,16,17)(H,19,20) | | 別名: | 2-CARBOXYMETHYL-1,3,3-TRIOXO-1,2-DIHYDRONAPHTHO[1,2-D]ISOTHIAZOLE-4-CARBOXYLIC ACID | | 定義日: | 2006-11-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 2-(carboxymethyl)-1-oxo-1,2-dihydronaphtho[1,2-d]isothiazole-4-carboxylic acid 3,3-dioxide |
|
 | | 32M | | 表記: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol | | 組成式: | C20 H42 O7 | | SMILES: | O(CCOCCCCCCCC)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C20H42O7/c1-2-3-4-5-6-7-9-22-11-13-24-15-17-26-19-20-27-18-16-25-14-12-23-10-8-21/h21H,2-20H2,1H3 | | 別名: | HEXAETHYLENE GLYCOL MONOOCTYL ETHER | | 定義日: | 2014-05-27 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-09-09 | | 識別子（ID）: | 3,6,9,12,15,18-hexaoxahexacosan-1-ol |
|
 | | ITP | | 表記: | PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER | | 組成式: | C6 H14 O12 P2 | | SMILES: | O=P(OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O)(O)O | | InChi: | InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6- | | 別名: | INOSITOL 1,3-BISPHOSPHATE | | 定義日: | 2001-01-24 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (1R,2s,3S,4R,5s,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] |
|
 | | ITT | | 表記: | INOSINE 5'-TRIPHOSPHATE | | 組成式: | C10 H15 N4 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2ncnc1O)C(O)C3O | | InChi: | InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | | 別名: | INOSINE TRIPHOSPHATE | | 定義日: | 2004-09-01 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-9H-purin-6-ol |
|
 | | 33L | | 表記: | N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide | | 組成式: | C18 H21 N3 O2 | | SMILES: | O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2 | | InChi: | InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1 | | 別名: | Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form | | 定義日: | 2014-06-10 | | 最終更新日: | 2020-06-17 | | 公開日: | 2015-08-05 | | 識別子（ID）: | N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide |
|
 | | 346 | | 表記: | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-FURAN-3-YLOXY]-PHENYL]-ACETIC ACID | | 組成式: | C21 H24 F N3 O5 | | SMILES: | O=C(O)C(c2c(F)c(OC1CCOC1)cc(OCC)c2)Nc3ccc(C(=[N@H])N)cc3 | | InChi: | InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1 | | 別名: | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){5-ETHOXY-2-FLUORO-3-[(3R)-TETRAHYDROFURAN-3-YLOXY]PHENYL}ACETIC ACID | | 定義日: | 2005-08-11 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2R)-[(4-carbamimidoylphenyl)amino]{5-ethoxy-2-fluoro-3-[(3R)-tetrahydrofuran-3-yloxy]phenyl}ethanoic acid |
|
 | | 34G | | 表記: | emetine | | 組成式: | C29 H40 N2 O4 | | SMILES: | O(c1cc2c(cc1OC)C(NCC2)CC5CC4c3c(cc(OC)c(OC)c3)CCN4CC5CC)C | | InChi: | InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m1/s1 | | 別名: | (3beta,14beta)-6',7',10,11-tetramethoxyemetan | | 定義日: | 2014-06-16 | | 最終更新日: | 2020-06-17 | | 公開日: | 2014-07-16 | | 識別子（ID）: | (3beta,14beta)-6',7',10,11-tetramethoxyemetan |
|
 | | IVM | | 表記: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17
-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy
clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside | | 組成式: | C48 H74 O14 | | SMILES: | O=C5OC2CC(OC1(OC(C(C)CC)C(C)CC1)C2)CC=C(C)C(OC4OC(C)C(OC3OC(C)C(O)C(OC)C3)C(OC)C4)C(C=CC=C6COC7C(O)C(=CC5C67O)C)C | | InChi: | InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1 | | 別名: | 22,23-DIHYDROAVERMECTIN B1A | | 定義日: | 2011-04-15 | | 最終更新日: | 2020-06-17 | | 識別子（ID）: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside |
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 | | 35I | | 表記: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl
]prop-2-en-1-one | | 組成式: | C27 H27 F3 N6 O3 | | SMILES: | FC(F)(F)CCC4c1c(cccc1)C=NN4C(=O)C=Cc2cc(cc(OC)c2OC)Cc3cnc(nc3N)N | | InChi: | InChI=1S/C27H27F3N6O3/c1-38-22-13-16(12-19-14-33-26(32)35-25(19)31)11-17(24(22)39-2)7-8-23(37)36-21(9-10-27(28,29)30)20-6-4-3-5-18(20)15-34-36/h3-8,11,13-15,21H,9-10,12H2,1-2H3,(H4,31,32,33,35)/b8-7+/t21-/m0/s1 | | 別名: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl)pro
p-2-en-1-one | | 定義日: | 2012-04-17 | | 最終更新日: | 2020-06-17 | | 公開日: | 2013-02-08 | | 識別子（ID）: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-(3,3,3-trifluoropropyl)phthalazin-2(1H)-yl]prop-2-en-1-one |
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 | | IY1 | | 表記: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile | | 組成式: | C19 H12 N4 O3 | | SMILES: | N#CC=2C(=O)N(c1ccc(cc1)[N+](=O)[O-])c3c(C=2)n(C)c4c3cccc4 | | InChi: | InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3 | | 別名: | Indopy-1 | | 定義日: | 2019-03-14 | | 最終更新日: | 2020-06-17 | | 公開日: | 2019-10-23 | | 識別子（ID）: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile |
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