falecalcitriol

Ligand id: 2781

Name: falecalcitriol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 60.69
Molecular weight 524.27
XLogP 8.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
International Nonproprietary Names
INN number INN
7103 falecalcitriol
Synonyms
calcitriol hexafluoride | F6-1α,25(OH)2D3 | ST-630
Database Links
CAS Registry No. 83805-11-2
ChEMBL Ligand CHEMBL2106158
PubChem CID 5282190
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Wikipedia Falecalcitriol