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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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Dinaciclib (SCH727965)CAS号 : 779353-01-4(DMSO)分子式: C21H28N6O2 分子量: 396.49SMILES: CCC1=C2N=C(C=C(NCC3=CC=C[N+](=C3)[O-])[N]2N=C1)N4CCCCC4CCO
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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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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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SNS-314CAS号 : 1057249-41-8(DMSO)分子式: C18H15ClN6OS2 分子量: 430.93SMILES: C[S](O)(=O)=O.ClC1=CC=CC(=C1)NC(=O)NC2=NC=C(CCNC3=NC=NC4=C3SC=C4)S2
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索拉非尼CAS号 : 284461-73-0(DMSO)分子式: C21H16ClF3N4O3 分子量: 464.82SMILES: CNC(=O)C1=CC(=CC=N1)OC2=CC=C(NC(=O)NC3=CC=C(Cl)C(=C3)C(F)(F)F)C=C2
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BI-1347CAS号 : 2163056-91-3 Compound CID : 132180482分子式: C22H20N4O 分子量: 356.42IUPAC Name: 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-N,N-dimethylacetamideSMILES: CN(C)C(=O)CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC4=CC=CC=C43InChIKey: WULUGQONDYDNKY-UHFFFAOYSA-NInChI: InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
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MSC2530818CAS号 : 1883423-59-3 Compound CID : 118879529分子式: C18H17ClN4O 分子量: 340.81IUPAC Name: [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanoneSMILES: CC1=C2C=C(C=NC2=NN1)C(=O)N3CCCC3C4=CC=C(C=C4)ClInChIKey: ODRITQGYYWHQGM-INIZCTEOSA-NInChI: InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
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AST-487 (NVP-AST487)CAS号 : 630124-46-8 Compound CID : 11409972分子式: C26H30F3N7O2 分子量: 529.56IUPAC Name: 1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]ureaSMILES: CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC4=NC=NC(=C4)NC)C(F)(F)FInChIKey: ODPGGGTTYSGTGO-UHFFFAOYSA-NInChI: InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
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BI-1347CAS号 : 2163056-91-3 Compound CID : 132180482分子式: C22H20N4O 分子量: 356.42IUPAC Name: 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-N,N-dimethylacetamideSMILES: CN(C)C(=O)CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC4=CC=CC=C43InChIKey: WULUGQONDYDNKY-UHFFFAOYSA-NInChI: InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
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MSC2530818CAS号 : 1883423-59-3 Compound CID : 118879529分子式: C18H17ClN4O 分子量: 340.81IUPAC Name: [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanoneSMILES: CC1=C2C=C(C=NC2=NN1)C(=O)N3CCCC3C4=CC=C(C=C4)ClInChIKey: ODRITQGYYWHQGM-INIZCTEOSA-NInChI: InChI=1S/C18H17ClN4O/c1-11-15-9-13(10-20-17(15)22-21-11)18(24)23-8-2-3-16(23)12-4-6-14(19)7-5-12/h4-7,9-10,16H,2-3,8H2,1H3,(H,20,21,22)/t16-/m0/s1
