ATL802

Ligand id: 5616

Name: ATL802

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 115.39
Molecular weight 513.17
XLogP 3.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)pyridin-2-yl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
Database Links
GtoPdb PubChem SID 178102250
PubChem CID 24780383
Search Google for chemical match using the InChIKey IKIXRBGOWUFFBN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IKIXRBGOWUFFBN
Search UniChem for chemical match using the InChIKey IKIXRBGOWUFFBN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IKIXRBGOWUFFBN