小分子和化合物库
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塞马西尼CAS号 : 204005-46-9分子式: C15H14N2O 分子量: 238.28IUPAC Name: (3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-oneSMILES: CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)CInChIKey: WUWDLXZGHZSWQZ-WQLSENKSSA-NInChI: InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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脱甲基YM298198盐酸盐CAS号 : 299901-57-8 Compound CID : 11716890分子式: C17H20N4OS.HCl 分子量: 364.89IUPAC Name: 7-amino-N-cyclohexyl-1-methyl-[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamideSMILES: CC1=C(SC2=NC3=C(N12)C=C(C=C3)N)C(=O)NC4CCCCC4InChIKey: VWOMTTIMBHBPBI-UHFFFAOYSA-NInChI: InChI=1S/C17H20N4OS/c1-10-15(16(22)19-12-5-3-2-4-6-12)23-17-20-13-8-7-11(18)9-14(13)21(10)17/h7-9,12H,2-6,18H2,1H3,(H,19,22)
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JNJ-10198409,ATP竞争性强的PDGF-BB酪氨酸激酶抑制剂CAS号 : 627512-69-0 Compound CID : 9797370分子式: C18H16FN3O2 分子量: 325.34IUPAC Name: N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-3-amineSMILES: COC1=C(C=C2C(=C1)CC3=C2NN=C3NC4=CC(=CC=C4)F)OCInChIKey: ZDNURMVOKAERHZ-UHFFFAOYSA-NInChI: InChI=1S/C18H16FN3O2/c1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
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BLZ945CAS号 : 953769-46-5(DMSO)分子式: C20H22N4O3S 分子量: 398.48SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(NC4CCCCC4O)S3
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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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CP-673451CAS号 : 343787-29-1(DMSO)分子式: C24H27N5O2 分子量: 417.5SMILES: COCCOC1=CC=C2[N](C=NC2=C1)C3=NC4=C(C=CC=C4C=C3)N5CCC(N)CC5
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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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Dasatinib (BMS-354825)CAS号 : 302962-49-8(DMSO)分子式: C22H26ClN7O2S 分子量: 488.01SMILES: CC1=NC(=CC(=N1)N2CCN(CCO)CC2)NC3=NC=C(S3)C(=O)NC4=C(Cl)C=CC=C4C
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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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Erlotinib (OSI-774)CAS号 : 183321-74-6(DMSO)分子式: C22H23N3O4 分子量: 393.44SMILES: COCCOC1=C(OCCOC)C=C2C(=NC=NC2=C1)NC3=CC=CC(=C3)C#C
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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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Linifanib (ABT-869)CAS号 : 796967-16-3(DMSO)分子式: C21H18FN5O 分子量: 375.41SMILES: CC1=CC(=C(F)C=C1)NC(=O)NC2=CC=C(C=C2)C3=C4C(=N[NH]C4=CC=C3)N
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