gemini

Ligand id: 2782

Name: gemini

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 80.92
Molecular weight 502.4
XLogP 7.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3S,5Z)-5-{2-[(1R,4E,7aR)-1-(2,10-dihydroxy-2,10-dimethylundecan-6-yl)-7a-methyl-octahydro-1H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol
Synonyms
1R,25-dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D3 | KH
Database Links
ChEMBL Ligand CHEMBL322149
PubChem CID 44339465
Search Google for chemical match using the InChIKey WTQXZYVWLNPNEX-YEWRDARRSA-N
Search Google for chemicals with the same backbone WTQXZYVWLNPNEX
Search UniChem for chemical match using the InChIKey WTQXZYVWLNPNEX-YEWRDARRSA-N
Search UniChem for chemicals with the same backbone WTQXZYVWLNPNEX