HIT ID: HIT105399895
Cas No: 622794-09-6
分子式: C16H16N4S2
分子量: 328.45
常用名: SARS-CoV-2 3CLpro-IN-13
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 2.68
IUPAC: N-[(pyridin-3-yl)methyl][({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]carbothioamide
IUPAC: N-[(pyridin-3-yl)methyl][({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]carbothioamide
SMILES: Cc1cccc2nc(CSC(=S)NCc3cccnc3)cn12
SMILES: Cc1cccc2nc(CSC(=S)NCc3cccnc3)cn12
InChI key: SHLBJLRRZKJCRW-UHFFFAOYSA-N
