[3H]ancriviroc

Ligand id: 802

Name: [3H]ancriviroc    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 72.08
Molecular weight 556.2
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[(4-{4-[(1Z)-(4-bromophenyl)(ethoxyimino)methyl]piperidin-1-yl}-4-methylpiperidin-1-yl)carbonyl]-2,4-dimethylpyridin-1-ium-1-olate
Synonyms
[3H]SCH 351125 | [3H]Sch-351125
Database Links
ChEMBL Ligand CHEMBL78535
PubChem CID 9574343
Search Google for chemical match using the InChIKey ZGDKVKUWTCGYOA-URGPHPNLSA-N
Search Google for chemicals with the same backbone ZGDKVKUWTCGYOA
Search UniChem for chemical match using the InChIKey ZGDKVKUWTCGYOA-URGPHPNLSA-N
Search UniChem for chemicals with the same backbone ZGDKVKUWTCGYOA