HIT ID: HIT212672467
Cas No: 1056468-55-3
分子式: C21H23ClN4O2S
分子量: 430.95
常用名: LP117
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 6.0227737
IUPAC: ethyl 2-({4-chloro-6-[(quinolin-6-yl)amino]pyrimidin-2-yl}sulfanyl)hexanoate
IUPAC: ethyl 2-({4-chloro-6-[(quinolin-6-yl)amino]pyrimidin-2-yl}sulfanyl)hexanoate
SMILES: CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
SMILES: CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC
InChI key: PGDAEUTURQTTPZ-UHFFFAOYSA-N