TEI-9647

Ligand Id: 2788
Ligand name TEI-9647

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 66.76
Molecular weight 426.28
XLogP 5.6
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
(5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methylideneoxolan-2-one
Synonyms
(23S)-1al​pha-hydro​xy-25,27-​didehydro​vitamin D​3 26,23-l​actone
(23S)-25-dehydro-1α (OH)D3-26,23-lactone
TEI9647
Database Links
ChEMBL Ligand 438300, 461682, 461792
PubChem CID 9547692
RCSB PDB Ligand TEJ
Search Google for chemical match using the InChIKey SAODSJHDCZTVAT-CZADFQNYSA-N
Search Google for chemicals with the same backbone SAODSJHDCZTVAT
ZINC ZINC34012092