HIT ID: HIT212717501
Cas No: 136242-98-3
分子式: C22H24N6O5
分子量: 452.471
常用名: NSC 184692
氢键受体数 (HBA): 10
氢键供体数 (HBD): 6
LogP: -0.47757947
IUPAC: (2S)-2-[(4-{[(2,4-diamino-5-ethylquinazolin-6-yl)methyl]amino}phenyl)formamido]butanedioic acid
IUPAC: (2S)-2-[(4-{[(2,4-diamino-5-ethylquinazolin-6-yl)methyl]amino}phenyl)formamido]butanedioic acid
SMILES: CCc1c(CNc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc2nc(N)nc(N)c12
SMILES: CCc1c(CNc2ccc(cc2)C(=O)N[C@@H](CC(O)=O)C(O)=O)ccc2nc(N)nc(N)c12
InChI key: MALRUKQRDHTJPO-INIZCTEOSA-N
