2MD

Ligand id: 2776

Name: 2MD

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 60.69
Molecular weight 416.33
XLogP 6.28
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
Synonyms
2-methylene-19-nor-(20S)-1 alpha,25-dihydroxy-vitamin D3 | VDZ
Database Links
CAS Registry No. 213250-70-5 (source: Scifinder)
ChEMBL Ligand CHEMBL605525
PubChem CID 5289549
RCSB PDB Ligand VDZ
Search Google for chemical match using the InChIKey UHMPCVGLSKFXHR-NAQZCRMNSA-N
Search Google for chemicals with the same backbone UHMPCVGLSKFXHR
Search UniChem for chemical match using the InChIKey UHMPCVGLSKFXHR-NAQZCRMNSA-N
Search UniChem for chemicals with the same backbone UHMPCVGLSKFXHR