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4-羟基三苯氧胺CAS号 : 68392-35-8(DMSO)分子式: C26H29NO2 分子量: 387.51SMILES: CCC(C1=CC=CC=C1)=C(C2=CC=C(O)C=C2)C3=CC=C(OCCN(C)C)C=C3
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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Foretinib (GSK1363089)CAS号 : 849217-64-7(DMSO)分子式: C34H34F2N4O6 分子量: 632.65SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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TAK-901CAS号 : 934541-31-8(DMSO)分子式: C28H32N4O3S 分子量: 504.64SMILES: CC[S](=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C)C3=C2C4=C([NH]3)N=CC(=C4)C)C(=O)NC5CCN(C)CC5
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他莫西芬CAS号 : 10540-29-1(DMSO)分子式: C26H29NO 分子量: 371.51SMILES: CC/C(C1=CC=CC=C1)=C(C2=CC=CC=C2)/C3=CC=C(OCCN(C)C)C=C3.OC(=O)CC(O)(CC(O)=O)C(O)=O
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美雌醇CAS号 : 72-33-3(DMSO)分子式: C21H26O2 分子量: 310.43SMILES: COC1=CC2=C(C=C1)C3CCC4(C)C(CCC4(O)C#C)C3CC2
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AZD9496CAS号 : 1639042-08-2分子式: C25H25F3N2O2 分子量: 442.47IUPAC Name: (E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acidSMILES: CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24InChIKey: DFBDRVGWBHBJNR-BBNFHIFMSA-NInChI: InChI=1S/C25H25F3N2O2/c1-14-10-17-16-6-4-5-7-20(16)29-23(17)24(30(14)13-25(2,3)28)22-18(26)11-15(12-19(22)27)8-9-21(31)32/h4-9,11-12,14,24,29H,10,13H2,1-3H3,(H,31,32)/b9-8+/t14-,24-/m1/s1
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Brilanestrant (GDC-0810)CAS号 : 1365888-06-7分子式: C26H20ClFN2O2 分子量: 446.9IUPAC Name: (E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acidSMILES: CCC(=C(C1=CC=C(C=C1)C=CC(=O)O)C2=CC3=C(C=C2)NN=C3)C4=C(C=C(C=C4)F)ClInChIKey: BURHGPHDEVGCEZ-KJGLQBJMSA-NInChI: InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+
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环芬尼CAS号 : 2624-43-3分子式: C23H24O4 分子量: 364.434IUPAC Name: [4-[(4-acetyloxyphenyl)-cyclohexylidenemethyl]phenyl] acetateSMILES: CC(=O)OC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OC(=O)CInChIKey: GVOUFPWUYJWQSK-UHFFFAOYSA-NInChI: InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3
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GSK5182CAS号 : 877387-37-6分子式: C27H31NO3 分子量: 417.54IUPAC Name: 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-2-phenylpent-1-enyl]phenolSMILES: CN(C)CCOC1=CC=C(C=C1)C(=C(CCCO)C2=CC=CC=C2)C3=CC=C(C=C3)OInChIKey: ZVSFNBNLNLXEFQ-RQZHXJHFSA-NInChI: InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
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PD173955CAS号 : 260415-63-2 Compound CID : 447077分子式: C21H16Cl2N4OS 分子量: 443.35IUPAC Name: 6-(2,6-dichlorophenyl)-8-methyl-2-(3-methylsulfanylanilino)pyrido[2,3-d]pyrimidin-7-oneSMILES: CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC(=CC=C4)SCInChIKey: VAARYSWULJUGST-UHFFFAOYSA-NInChI: InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
