pregnenolone-16α-carbonitrile

Ligand id: 2762

Name: pregnenolone-16α-carbonitrile

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 61.09
Molecular weight 341.24
XLogP 3.79
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
Synonyms
16α-carbonitrile, pregnenolone
Database Links
ChEBI CHEBI:355​91
ChEMBL Ligand CHEMBL1400945
NURSA Ligand 10.1621/71UER4TQZY
PubChem CID 15032
Search Google for chemical match using the InChIKey VSBHRRMYCDQLJF-ZDNYCOCVSA-N
Search Google for chemicals with the same backbone VSBHRRMYCDQLJF
Search UniChem for chemical match using the InChIKey VSBHRRMYCDQLJF-ZDNYCOCVSA-N
Search UniChem for chemicals with the same backbone VSBHRRMYCDQLJF
Wikipedia Pregnenolone carbonitrile