HIT ID: HIT212671218
Cas No: 155412-88-7
分子式: C27H28N6O3
分子量: 484.56
常用名: CCK-B Receptor Antagonist 2
氢键受体数 (HBA): 6
氢键供体数 (HBD): 3
LogP: 3.7493632
IUPAC: 1-(3-aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea
IUPAC: 1-(3-aminophenyl)-3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]urea
SMILES: CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccn1 |c:15|
SMILES: CC(C)(C)C(=O)CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(N)c2)C1=O)c1ccccn1 |c:15|
InChI key: ABJHMASUFPDZRW-DEOSSOPVSA-N
