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克唑替尼CAS号 : 877399-52-5分子式: C21H22Cl2FN5O 分子量: 450.34IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amineSMILES: CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)NInChIKey: KTEIFNKAUNYNJU-GFCCVEGCSA-NInChI: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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4-[2-(4-氨基苯基)乙炔基]苯胺分子式: C14H12N2 分子量: 208.26IUPAC Name: 4-[2-(4-aminophenyl)ethynyl]anilineSMILES: C1=CC(=CC=C1C#CC2=CC=C(C=C2)N)NInChIKey: WAUKJWLKPXRNKT-UHFFFAOYSA-NInChI: InChI=1S/C14H12N2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H,15-16H2
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甲氧基X04CAS号 : 863918-78-9 Compound CID : 16049314分子式: C23H20O3 分子量: 344.4IUPAC Name: 4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methoxyphenyl]ethenyl]phenolSMILES: COC1=C(C=CC(=C1)C=CC2=CC=C(C=C2)O)C=CC3=CC=C(C=C3)OInChIKey: FGYNZFHVGOFCMD-KHVHPYDTSA-NInChI: InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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BMS-777607CAS号 : 1025720-94-8(DMSO)分子式: C25H19ClF2N4O4 分子量: 512.89SMILES: CCOC1=C(C(=O)NC2=CC=C(OC3=CC=NC(=C3Cl)N)C(=C2)F)C(=O)N(C=C1)C4=CC=C(F)C=C4
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Crizotinib (PF-02341066)CAS号 : 877399-52-5分子式: C21H22Cl2FN5O 分子量: 450.34IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amineSMILES: CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)NInChIKey: KTEIFNKAUNYNJU-GFCCVEGCSA-NInChI: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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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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MK-2461CAS号 : 917879-39-1(DMSO)分子式: C24H25N5O5S 分子量: 495.55SMILES: CN(CC1COCCO1)[S](=O)(=O)NC2=CC3=C(C=C2)C=CC4=C(C=C(C=N4)C5=C[N](C)N=C5)C3=O
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Sitravatinib (MGCD516)CAS号 : 1123837-84-2(DMSO)分子式: C33H29F2N5O4S 分子量: 629.68SMILES: COCCNCC1=CC=C(N=C1)C2=CC3=C(S2)C(=CC=N3)OC4=CC=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4F
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TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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姜黄素CAS号 : 458-37-7(DMSO)分子式: C21H20O6 分子量: 368.38SMILES: COC1=CC(=CC=C1O)/C=C/C(O)=C/C(=O)/C=C/C2=CC(=C(O)C=C2)OC
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维生素A酸CAS号 : 302-79-4(DMSO)分子式: C20H28O2 分子量: 300.4SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)C(C)(C)CCC1
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