HIT ID: HIT212710623
Cas No: 85803-34-5
分子式: C19H19FN8O5
分子量: 458.41
常用名: 3'-Fluoroaminopterin
氢键受体数 (HBA): 12
氢键供体数 (HBD): 6
LogP: -0.7188239
IUPAC: (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}-3-fluorophenyl)formamido]pentanedioic acid
IUPAC: (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}-3-fluorophenyl)formamido]pentanedioic acid
SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3F)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
SMILES: Nc1nc(N)c2nc(CNc3ccc(cc3F)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
InChI key: SGJMILOGOMOIPG-LBPRGKRZSA-N