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17-AAG,HSP90抑制剂CAS号: 75747-14-7分子式: C31H43N3O8 分子量: 585.69IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamateSMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OCInChIKey: AYUNIORJHRXIBJ-TXHRRWQRSA-NInChI: See more
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阿卡德辛分子式: C9H14N4O5 分子量: 258.23IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamideSMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)NInChIKey: RTRQQBHATOEIAF-UUOKFMHZSA-NInChI: 1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
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安塞蜜CAS号: 55589-62-3 EC号: 259-715-3分子式: C4H4KNO4S 分子量: 201.24IUPAC Name: potassium;6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-oneSMILES: CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-MInChI: 1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
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牛蒡子苷元CAS号: 7770-78-7分子式: C21H24O6 分子量: 372.41IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-oneSMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OCInChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-NInChI: 1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
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萘普生钠CAS号: 26159-34-2 EC号: 247-486-2分子式: C14H13NaO3 分子量: 252.24IUPAC Name: sodium;(2S)-2-(6-methoxynaphthalen-2-yl)propanoateSMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[O-].[Na+]InChIKey: CDBRNDSHEYLDJV-FVGYRXGTSA-MInChI: 1S/C14H14O3.Na/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;/h3-9H,1-2H3,(H,15,16);/q;+1/p-1/t9-;/m0./s1
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5-(N-乙基-N-异丙基)阿米洛利(EIPA)CAS号: 1154-25-2分子式: C11H18ClN7O 分子量: 299.76IUPAC Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamideSMILES: CCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)CInChIKey: QDERNBXNXJCIQK-UHFFFAOYSA-NInChI: 1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
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去甲二氢愈创木酸CAS号: 500-38-9分子式: C18H22O4 分子量: 302.37IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diolSMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)OInChIKey: HCZKYJDFEPMADG-UHFFFAOYSA-NInChI: 1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
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土槿皮乙酸CAS号: 82508-31-4分子式: C23H28O8 分子量: 432.464IUPAC Name: (2E,4E)-5-[(1S,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acidSMILES: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)OInChIKey: VDGOFNMYZYBUDT-YCONPBHISA-NInChI: 1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22-,23-/m0/s1
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土槿皮乙酸CAS号: 82508-31-4分子式: C23H28O8 分子量: 432.464IUPAC Name: (2E,4E)-5-[(1S,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acidSMILES: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)OInChIKey: VDGOFNMYZYBUDT-YCONPBHISA-NInChI: 1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22-,23-/m0/s1
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鱼藤酮分子式: C23H22O6 分子量: 394.42IUPAC Name: (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-oneSMILES: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OCInChIKey: JUVIOZPCNVVQFO-HBGVWJBISA-NInChI: 1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
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(+)-芦丁 三水合物分子式: C27H30O16·3H2O 分子量: 664.58 (610.52anhy)IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one;trihydrateSMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O.O.OInChIKey: NLLBWFFSGHKUSY-JPRRWYCFSA-NInChI: See more
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马来酸罗格列酮CAS号: 155141-29-0 Compound CID : 5281055分子式: C18H19N3O3S.C4H4O4 分子量: 473.5IUPAC Name: (Z)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dioneSMILES: CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3.C(=CC(=O)O)C(=O)OInChIKey: SUFUKZSWUHZXAV-BTJKTKAUSA-NInChI: 1S/C18H19N3O3S.C4H4O4/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15;5-3(6)1-2-4(7)8/h2-9,15H,10-12H2,1H3,(H,20,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1-
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