bohemine

Ligand id: 5938

Name: bohemine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 87.89
Molecular weight 340.2
XLogP 3.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}propan-1-ol
Database Links
CAS Registry No. 189232-42-6
ChEMBL Ligand CHEMBL83980
PubChem CID 2422
Search Google for chemical match using the InChIKey OPQGFIAVPSXOBO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OPQGFIAVPSXOBO
Search UniChem for chemical match using the InChIKey OPQGFIAVPSXOBO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OPQGFIAVPSXOBO