compound 3q [PMID: 2231594]

Ligand id: 2977

Name: compound 3q [PMID: 2231594]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 109.57
Molecular weight 445.15
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S)-4-{[(E)-2-[1-(4-fluorophenyl)-3-(propan-2-yl)-1H-indol-2-yl]ethenyl](hydroxy)phosphoryl}-3-hydroxybutanoic acid
Database Links
ChEMBL Ligand CHEMBL102145
GtoPdb PubChem SID 135649781
PubChem CID 44331779
Search Google for chemical match using the InChIKey RTTUBUXMNUJHRR-DXRVJIQQSA-N
Search Google for chemicals with the same backbone RTTUBUXMNUJHRR
Search UniChem for chemical match using the InChIKey RTTUBUXMNUJHRR-DXRVJIQQSA-N
Search UniChem for chemicals with the same backbone RTTUBUXMNUJHRR