seocalcitol

Ligand Id: 2777
Ligand name seocalcitol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 60.69
Molecular weight 454.34
XLogP 7.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
International Nonproprietary Names
INN number INN
7666 seocalcitol
Synonyms
EB 1089
EB1089
Database Links
CAS Registry No. 134404-52-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1908376
DrugBank Ligand DB04258
NURSA Ligand 837
PubChem CID 20055510
RCSB PDB Ligand EB1
Search Google for chemical match using the InChIKey LVLLALCJVJNGQQ-VCEWRGPYSA-N
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