[3H]methotrexate

Ligand Id: 4674
Ligand name [3H]methotrexate

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 10
Topological polar surface area 210.54
Molecular weight 454.17
XLogP -2.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid
Synonyms
[3H]-methotrexate
Database Links
PubChem CID 126941
Search Google for chemical match using the InChIKey FBOZXECLQNJBKD-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone FBOZXECLQNJBKD
ZINC ZINC01529323