[3H]maraviroc

Ligand id: 803

Name: [3H]maraviroc    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 63.05
Molecular weight 513.33
XLogP 7.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4,4-difluoro-N-[(1S)-3-[(1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclohexane-1-carboxamide
Synonyms
[3H]UK 427,857 | [3H]UK-427,857
Database Links
PubChem CID 3002977
Search Google for chemical match using the InChIKey GSNHKUDZZFZSJB-HLMSNRGBSA-N
Search Google for chemicals with the same backbone GSNHKUDZZFZSJB
Search UniChem for chemical match using the InChIKey GSNHKUDZZFZSJB-HLMSNRGBSA-N
Search UniChem for chemicals with the same backbone GSNHKUDZZFZSJB
SynPHARM 2310 (in complex with CCR5)