Name: RO4988546
Rating: 5 (10 reviews)

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HIT ID:HIT212713510
Cas No:911114-85-7
常用名:RO4988546
别名:RO-4988546, RO 4988546
IUPAC:5-{2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl}pyridine-3-sulfonic acid
IUPAC:5-{2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl}pyridine-3-sulfonic acid
InChI key:VAQSOLIIQORHSP-UHFFFAOYSA-N

分子式:C21H10F6N4O3S
分子量:512.39
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:2.3787725
SMILES:OS(=O)(=O)c1cncc(c1)C#Cc1cnn2c(cc(nc12)-c1ccc(cc1)C(F)(F)F)C(F)(F)F
SMILES:OS(=O)(=O)c1cncc(c1)C#Cc1cnn2c(cc(nc12)-c1ccc(cc1)C(F)(F)F)C(F)(F)F

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