WHO基本药物配体 - 小分子和化合物库

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达沙替尼
- ≥99%
CAS号: 302962-49-8 EC号: 801-607-0

分子式: C₂₂H₂₆ClN₇O₂S 分子量: 488.01

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

InChI: 1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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依法韦仑
- 10mM in DMSO
CAS号: 154598-52-4

分子式: C₁₄H₉ClF₃NO₂ 分子量: 315.67

IUPAC Name: (4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

SMILES: C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F

InChIKey: XPOQHMRABVBWPR-ZDUSSCGKSA-N

InChI: 1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
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