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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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Agerafenib (RXDX-105)CAS号 : 1188910-76-0(DMSO)分子式: C24H22F3N5O5 分子量: 517.46SMILES: COC1=CC2=NC=NC(=C2C=C1OC)OC3=CC(=CC=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C(F)(F)F
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GDC-0879CAS号 : 905281-76-7(DMSO)分子式: C19H18N4O2 分子量: 334.37SMILES: OCC[N]1C=C(C2=CC=C\3C(=C2)CCC3=N\O)C(=N1)C4=CC=NC=C4
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GW5074CAS号 : 220904-83-6(DMSO)分子式: C15H8Br2INO2 分子量: 520.94SMILES: OC1=C(Br)C=C(C=C1Br)C=C2C(=O)NC3=CC=C(I)C=C23
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OSI-930CAS号 : 728033-96-3(DMSO)分子式: C22H16F3N3O2S 分子量: 443.44SMILES: FC(F)(F)OC1=CC=C(NC(=O)C2=C(NCC3=CC=NC4=CC=CC=C34)C=CS2)C=C1
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RAF265 (CHIR-265)CAS号 : 927880-90-8(DMSO)分子式: C24H16F6N6O 分子量: 518.41SMILES: C[N]1C(=NC2=C1C=CC(=C2)OC3=CC=NC(=C3)C4=NC=C([NH]4)C(F)(F)F)NC5=CC=C(C=C5)C(F)(F)F
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SB590885CAS号 : 405554-55-4(DMSO)分子式: C27H27N5O2 分子量: 453.54SMILES: CN(C)CCOC1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=C\4C(=C3)CCC4=N\O)C5=CC=NC=C5
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瑞格非尼CAS号 : 755037-03-7(DMSO)分子式: C21H15ClF4N4O3 分子量: 482.82SMILES: CNC(=O)C1=CC(=CC=N1)OC2=CC(=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2)F
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B-Raf IN 1CAS号 : 950736-05-7分子式: C29H24F3N5O 分子量: 515.53IUPAC Name: N-[3-[3-[4-[(dimethylamino)methyl]phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamideSMILES: CN(C)CC1=CC=C(C=C1)C2=C3N=CC=C(N3N=C2)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)FInChIKey: AIWJVLQNYNCDSL-UHFFFAOYSA-NInChI: InChI=1S/C29H24F3N5O/c1-36(2)18-19-9-11-20(12-10-19)25-17-34-37-26(13-14-33-27(25)37)21-5-4-8-24(16-21)35-28(38)22-6-3-7-23(15-22)29(30,31)32/h3-17H,18H2,1-2H3,(H,35,38)
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CCT196969CAS号 : 1163719-56-9分子式: C27H24FN7O3 分子量: 513.52IUPAC Name: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]ureaSMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5InChIKey: KYYKGSDLXXKQCR-UHFFFAOYSA-NInChI: InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)
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L-779450CAS号 : 303727-31-3分子式: C20H14ClN3O 分子量: 347.8IUPAC Name: 2-chloro-5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenolSMILES: C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)OInChIKey: WXJLXRNWMLWVFB-UHFFFAOYSA-NInChI: InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
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LosmapimodCAS号 : 585543-15-3分子式: C22H26FN3O2 分子量: 383.46IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamideSMILES: CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)CInChIKey: KKYABQBFGDZVNQ-UHFFFAOYSA-NInChI: InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
