compound 18t [PMID: 8246237]

Ligand id: 2996

Name: compound 18t [PMID: 8246237]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 98.41
Molecular weight 539.23
XLogP 9.67
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,5S,6E)-7-[2-(4-fluorophenyl)-7-[(4-phenylphenyl)methyl]-4,5,6,7-tetrahydro-2H-indazol-3-yl]-3,5-dihydroxyhept-6-enoate
Database Links
ChEMBL Ligand CHEMBL122674
GtoPdb PubChem SID 135649761
PubChem CID 56947034
Search Google for chemical match using the InChIKey LRLBHWLNEJHHLJ-CDTDMYBXSA-M
Search Google for chemicals with the same backbone LRLBHWLNEJHHLJ
Search UniChem for chemical match using the InChIKey LRLBHWLNEJHHLJ-CDTDMYBXSA-M
Search UniChem for chemicals with the same backbone LRLBHWLNEJHHLJ