compound 18 [PMID: 8426367]

Ligand id: 2961

Name: compound 18 [PMID: 8426367]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.3
Molecular weight 456.4
XLogP 10.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(2R,5S,11S,14R,15R)-5-hydroxy-2,6,6,15-tetramethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-9-en-11-yl]ethan-1-one
Database Links
ChEMBL Ligand CHEMBL133434
GtoPdb PubChem SID 135649644
PubChem CID 44354270
Search Google for chemical match using the InChIKey DZMAIPFWPZZKSY-MBDGPJGJSA-N
Search Google for chemicals with the same backbone DZMAIPFWPZZKSY
Search UniChem for chemical match using the InChIKey DZMAIPFWPZZKSY-MBDGPJGJSA-N
Search UniChem for chemicals with the same backbone DZMAIPFWPZZKSY