gemini

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Ligands
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

Summary
Biological activity
References
Structure
Similar ligands

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

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

Synonyms

1R,25-dihydroxy-21-(3-hydroxy-3-methylbutyl)vitamin D3 | KH

Database Links
ChEMBL Ligand	CHEMBL322149
GtoPdb PubChem SID	135650299
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