HIT ID: HIT212710655
Cas No: 85597-18-8
分子式: C21H21N5O6
分子量: 439.428
常用名: 5,10-Dideazafolic acid
氢键受体数 (HBA): 10
氢键供体数 (HBD): 5
LogP: 1.3906971
IUPAC: (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H-pyrido[2,3-d]pyrimidin-6-yl}ethyl)phenyl]formamido}pentanedioic acid
IUPAC: (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H-pyrido[2,3-d]pyrimidin-6-yl}ethyl)phenyl]formamido}pentanedioic acid
SMILES: Nc1nc(=O)c2cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
SMILES: Nc1nc(=O)c2cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
InChI key: BHDZQFSNQPIPGI-HNNXBMFYSA-N