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贝母素甲CAS号: 23496-41-5分子式: C27H45NO3 分子量: 431.65IUPAC Name: (1R,2S,6S,9S,10S,11S,14S,15S,17S,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-10,17,20-triolSMILES: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(C6C5(CCC(C6)O)C)O)(C)OInChIKey: IUKLSMSEHKDIIP-BZMYINFQSA-NInChI: See more
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拟人参皂苷F11CAS号: 69884-00-0分子式: C42H72O14 分子量: 801.01IUPAC Name: See more SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)OInChIKey: JBGYSAVRIDZNKA-NKECSCAMSA-NInChI: See more
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重楼皂甙BCAS号: 50773-42-7分子式: C51H82O20 分子量: 1015.18IUPAC Name: See more SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1InChIKey: OZIHYFWYFUSXIS-UHFFFAOYSA-NInChI: See more
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PHA-680632CAS号: 398493-79-3分子式: C28H35N7O2 分子量: 501.64IUPAC Name: N-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamideSMILES: CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)CInChIKey: OBWNXGOQPLDDPS-UHFFFAOYSA-NInChI: 1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36)
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PD153035,EGFR酪氨酸激酶抑制剂CAS号: 153436-54-5分子式: C16H14BrN3O2 分子量: 360.21IUPAC Name: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amineSMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OCInChIKey: LSPANGZZENHZNJ-UHFFFAOYSA-NInChI: 1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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PIK-75,p110αPI3K抑制剂CAS号: 372196-77-5 Compound CID : 45265864分子式: C16H14BrN5O4S·HCl 分子量: 488.74IUPAC Name: N-[(E)-(6-bromoimidazo[1,2-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide;hydrochlorideSMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=C3N2C=C(C=C3)Br.ClInChIKey: VOUDEIAYNKZQKM-MYHMWQFYSA-NInChI: 1S/C16H14BrN5O4S.ClH/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16;/h3-10H,1-2H3;1H/b19-9+;
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PF-04929113(SNX-5422),Hsp90抑制剂CAS号: 908115-27-5分子式: C25H30F3N5O4 分子量: 521.54IUPAC Name: [4-[2-carbamoyl-5-[6,6-dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]anilino]cyclohexyl] 2-aminoacetateSMILES: CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)CInChIKey: AVDSOVJPJZVBTC-UHFFFAOYSA-NInChI: 1S/C25H30F3N5O4/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36)
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PCI-34051,HDAC8抑制剂CAS号: 950762-95-5分子式: C17H16N2O3 分子量: 296.32IUPAC Name: N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamideSMILES: COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NOInChIKey: AJRGHIGYPXNABY-UHFFFAOYSA-NInChI: 1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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PR-619,DUB抑制剂CAS号: 2645-32-1分子式: C7H5N5S2 分子量: 223.28IUPAC Name: (2,6-diamino-5-thiocyanatopyridin-3-yl) thiocyanateSMILES: C1=C(C(=NC(=C1SC#N)N)N)SC#NInChIKey: ZXOBLNBVNROVLC-UHFFFAOYSA-NInChI: 1S/C7H5N5S2/c8-2-13-4-1-5(14-3-9)7(11)12-6(4)10/h1H,(H4,10,11,12)
