HIT ID: HIT105909688
Cas No: 634175-34-1
分子式: C22H21F3N6O3S
分子量: 506.5
常用名: ML328
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: 2.689000000000000e+000
IUPAC: 8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
IUPAC: 8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILES: CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F
SMILES: CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCN(CC1)C(=S)Nc1cccc(c1)C(F)(F)F
InChI key: USYVBPXJSBDUTJ-UHFFFAOYSA-N
