HIT ID: HIT212671158
Cas No: 1431697-78-7
分子式: C23H23ClN8O
分子量: 462.94
常用名: CAL-130 Hydrochloride
氢键受体数 (HBA): 7
氢键供体数 (HBD): 3
LogP: 3.5725625
IUPAC: 2-[(1S)-1-[(2-amino-9H-purin-6-yl)amino]ethyl]-5-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one hydrochloride
IUPAC: 2-[(1S)-1-[(2-amino-9H-purin-6-yl)amino]ethyl]-5-methyl-3-(2-methylphenyl)-3,4-dihydroquinazolin-4-one hydrochloride
SMILES: Cl.C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1C
SMILES: Cl.C[C@H](Nc1nc(N)nc2[nH]cnc12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1C
InChI key: XEUIGTXAJSGCRB-UQKRIMTDSA-N
