compound 9 [PMID: 7932551]

Ligand id: 3030

Name: compound 9 [PMID: 7932551]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 93.06
Molecular weight 518.36
XLogP 6.73
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2S,5R,7R,10R,11S,15R,16S)-5-hydroxy-14-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-16-yl (2S)-2-methylbutanoate
Synonyms
(3α,5β,12α,17xi)-3-hydroxy-21-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]pregnan-12-yl (2S)-2-methylbutanoate
Database Links
ChEMBL Ligand CHEMBL320943
GtoPdb PubChem SID 135649730
PubChem CID 11756374
Search Google for chemical match using the InChIKey CFMOEGAYJQXZMT-UQTJVAAQSA-N
Search Google for chemicals with the same backbone CFMOEGAYJQXZMT
Search UniChem for chemical match using the InChIKey CFMOEGAYJQXZMT-UQTJVAAQSA-N
Search UniChem for chemicals with the same backbone CFMOEGAYJQXZMT