小分子
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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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AZD4547CAS号 : 1035270-39-3(DMSO)分子式: C26H33N5O3 分子量: 463.57SMILES: COC1=CC(=CC(=C1)OC)CCC2=CC(=N[NH]2)NC(=O)C3=CC=C(C=C3)N4CC(C)NC(C)C4
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Cediranib (AZD2171)CAS号 : 288383-20-0(DMSO)分子式: C25H27FN4O3 分子量: 450.51SMILES: COC1=C(OCCCN2CCCC2)C=C3N=CN=C(OC4=C(F)C5=C([NH]C(=C5)C)C=C4)C3=C1
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Dovitinib (TKI-258)CAS号 : 405169-16-6(DMSO)分子式: C21H21FN6O 分子量: 392.43SMILES: CN1CCN(CC1)C2=CC3=C(C=C2)N=C([NH]3)C4=C(N)C5=C(NC4=O)C=CC=C5F
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Erdafitinib (JNJ-42756493)CAS号 : 1346242-81-6(DMSO)分子式: C25H30N6O2 分子量: 446.54SMILES: COC1=CC(=CC(=C1)N(CCNC(C)C)C2=CC3=NC(=CN=C3C=C2)C4=C[N](C)N=C4)OC
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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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Ponatinib (AP24534)CAS号 : 943319-70-8(DMSO)分子式: C29H27F3N6O 分子量: 532.56SMILES: CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F
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ASP5878CAS号 : 1453208-66-6分子式: C18H19F2N5O4 分子量: 407.37IUPAC Name: 2-[4-[[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanolSMILES: COC1=CC(=C(C(=C1F)COC2=CN=C(N=C2)NC3=CN(N=C3)CCO)F)OCInChIKey: VDZZYOJYLLNBTD-UHFFFAOYSA-NInChI: InChI=1S/C18H19F2N5O4/c1-27-14-5-15(28-2)17(20)13(16(14)19)10-29-12-7-21-18(22-8-12)24-11-6-23-25(9-11)3-4-26/h5-9,26H,3-4,10H2,1-2H3,(H,21,22,24)
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BGJ398 (NVP-BGJ398)CAS号 : 872511-34-7分子式: C26H31Cl2N7O3 分子量: 560.48IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylureaSMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)ClInChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-NInChI: InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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CH5183284 (Debio-1347)CAS号 : 1265229-25-1分子式: C20H16N6O 分子量: 356.38IUPAC Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(1H-indol-2-yl)methanoneSMILES: CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)NInChIKey: BEMNJULZEQTDJY-UHFFFAOYSA-NInChI: InChI=1S/C20H16N6O/c1-11-23-16-7-6-13(9-17(16)24-11)26-20(21)14(10-22-26)19(27)18-8-12-4-2-3-5-15(12)25-18/h2-10,25H,21H2,1H3,(H,23,24)
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Derazantinib(ARQ-087)CAS号 : 1234356-69-4分子式: C29H29FN4O 分子量: 468.57IUPAC Name: (6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amineSMILES: COCCNCCC1=CC(=CC=C1)NC2=NC=C3CC(C4=CC=CC=C4C3=N2)C5=CC=CC=C5FInChIKey: KPJDVVCDVBFRMU-AREMUKBSSA-NInChI: InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1