Ligand Id: 2785
Ligand name Ro-26-9228

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 40.46
Molecular weight 442.32
XLogP 6.54
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Summary Biological activity References Structure
Classification
Compound class Synthetic organic
IUPAC Name
(1R,3Z,5S)-3-[(2E)-2-[(7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol
Synonyms
1α-fluoro-16-ene-20-epi-23-ene-26,27-bishomo-25-hydroxyvitamin D3
Database Links
PubChem CID 11495945
Search Google for chemical match using the InChIKey LRLWXBHFPGSUOX-BAHYQGKPSA-N
Search Google for chemicals with the same backbone LRLWXBHFPGSUOX
ZINC ZINC04802676

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