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AbemaciclibCAS号: 1231929-97-7分子式: C27H32F2N8 分子量: 506.59IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amineSMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)FInChIKey: UZWDCWONPYILKI-UHFFFAOYSA-NInChI: 1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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TG 003CAS号: 719277-26-6 Compound CID : 1893668分子式: C13H15NO2S 分子量: 249.33IUPAC Name: (1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-oneSMILES: CCN1C2=C(C=CC(=C2)OC)SC1=CC(=O)CInChIKey: BGVLELSCIHASRV-QPEQYQDCSA-NInChI: 1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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OmapatrilatCAS号: 167305-00-2 Compound CID : 656629分子式: C19H24N2O4S2 分子量: 408.53IUPAC Name: (4S,7S,10aS)-5-oxo-4-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]-2,3,4,7,8,9,10,10a-octahydropyrido[2,1-b][1,3]thiazepine-7-carboxylic acidSMILES: C1CC(N2C(C1)SCCC(C2=O)NC(=O)C(CC3=CC=CC=C3)S)C(=O)OInChIKey: LVRLSYPNFFBYCZ-VGWMRTNUSA-NInChI: 1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1
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4-(6-Bromo-2-benzothiazolyl)benzenamineCAS号: 566169-97-9 Compound CID : 10335228分子式: C13H9BrN2S 分子量: 305.19IUPAC Name: 4-(6-bromo-1,3-benzothiazol-2-yl)anilineSMILES: C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Br)NInChIKey: WZRRXNJALRCBNH-UHFFFAOYSA-NInChI: 1S/C13H9BrN2S/c14-9-3-6-11-12(7-9)17-13(16-11)8-1-4-10(15)5-2-8/h1-7H,15H2
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CLK1-IN-1CAS号: 2123491-32-5 Compound CID : 129318964分子式: C24H16FN5O 分子量: 409.42IUPAC Name: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazoleSMILES: CC(C1=CC=C(C=C1)F)N2C3=C4C=C(C=CC4=NC=C3N=N2)C5=CC6=C(C=C5)OC=N6InChIKey: BHKVSOQUPYXVRZ-AWEZNQCLSA-NInChI: 1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1
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