compound 7f [PMID: 29283260]

Ligand id: 9780

Name: compound 7f [PMID: 29283260]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 74.07
Molecular weight 376.21
XLogP 3.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(3-amino-1H-1,2,4-triazol-5-yl)-N-[2-(4-chlorophenyl)ethyl]-N-(2-methylpropyl)piperidin-4-amine
Comments
Compound 7f is an orally bioavailable acidic mammalian chitinase (AMCase; CHIA) inhibitor [1].
Database Links
GtoPdb PubChem SID 354702253
PubChem CID 118165440
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