HIT ID: HIT212715088
Cas No: 1216920-18-1
分子式: C18H21Cl3FN7
分子量: 460.76
常用名: BIBX 1382 Dihydrochloride
氢键受体数 (HBA): 7
氢键供体数 (HBD): 2
LogP: 2.8469026
IUPAC: N8-(3-chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine dihydrochloride
IUPAC: N8-(3-chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)-[1,3]diazino[5,4-d]pyrimidine-2,8-diamine dihydrochloride
SMILES: Cl.Cl.CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1
SMILES: Cl.Cl.CN1CCC(CC1)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1
InChI key: RFXGEKWBTCMDAW-UHFFFAOYSA-N