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邻苯二甲酸二正戊酯分子式: C18H26O4 分子量: 306.4IUPAC Name: dipentyl benzene-1,2-dicarboxylateSMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCInChIKey: IPKKHRVROFYTEK-UHFFFAOYSA-NInChI: 1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
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邻苯二甲酸二正戊酯分子式: C18H26O4 分子量: 306.4IUPAC Name: dipentyl benzene-1,2-dicarboxylateSMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCInChIKey: IPKKHRVROFYTEK-UHFFFAOYSA-NInChI: 1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
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盐酸阿霉素CAS号: 25316-40-9 EC号: 246-818-3分子式: C27H29NO11·HCl 分子量: 579.98IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochlorideSMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.ClInChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-NInChI: See more
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Dorsomorphin二盐酸盐CAS号: 1219168-18-9分子式: C24H25N5O·2HCl 分子量: 472.41IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine;dihydrochlorideSMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3.Cl.ClInChIKey: RJDVIJJQKMGPMV-UHFFFAOYSA-NInChI: 1S/C24H25N5O.2ClH/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20;;/h4-11,16-18H,1-3,12-15H2;2*1H
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DorsomorphinCAS号: 866405-64-3分子式: C24H25N5O 分子量: 399.49IUPAC Name: 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidineSMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC=C5)N=C3InChIKey: XHBVYDAKJHETMP-UHFFFAOYSA-NInChI: 1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
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10-姜酚CAS号: 23513-15-7分子式: C21H34O4 分子量: 350.49IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-oneSMILES: CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OInChIKey: AIULWNKTYPZYAN-SFHVURJKSA-NInChI: 1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
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10-姜酚CAS号: 23513-15-7分子式: C21H34O4 分子量: 350.49IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-oneSMILES: CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OInChIKey: AIULWNKTYPZYAN-SFHVURJKSA-NInChI: 1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1
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银杏内酯 CCAS号: 15291-76-6分子式: C20H24O11 分子量: 440.4IUPAC Name: (1R,3R,6R,7S,8S,9R,10S,11R,12S,13S,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trioneSMILES: CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)OInChIKey: AMOGMTLMADGEOQ-PYLUGNSCSA-NInChI: 1S/C20H24O11/c1-5-12(24)28-11-8(22)18-10-6(21)7(16(2,3)4)17(18)9(23)13(25)30-15(17)31-20(18,14(26)29-10)19(5,11)27/h5-11,15,21-23,27H,1-4H3/t5-,6-,7+,8-,9+,10-,11+,15+,17+,18-,19-,20-/m1/s1
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6-姜酚CAS号: 23513-14-6分子式: C17H26O4 分子量: 294.39IUPAC Name: (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-oneSMILES: CCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)OInChIKey: NLDDIKRKFXEWBK-AWEZNQCLSA-NInChI: 1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
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GSK690693,新型ATP竞争性泛Akt激酶抑制剂CAS号: 937174-76-0分子式: C21H27N7O3 分子量: 425.48IUPAC Name: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(3S)-piperidin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-olSMILES: CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4NInChIKey: KGPGFQWBCSZGEL-ZDUSSCGKSA-NInChI: 1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-5-9-23-10-13)11-24-14(7-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4-6,9-10,12H2,1-3H3,(H2,22,27)/t13-/m0/s1
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