aminobenzovesamicol

Ligand id: 4768

Name: aminobenzovesamicol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 26.71
Molecular weight 476.13
XLogP 6.62
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3R,4R)-1-[(3-iodophenyl)methyl]-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
Synonyms
compound 11 [PMID: :7702637] [1] | M-iodobenzyltrozamicol
Database Links
ChEMBL Ligand CHEMBL50880
GtoPdb PubChem SID 178101477
PubChem CID 10390222
Search Google for chemical match using the InChIKey UBVKSFDICLMPLH-DHIUTWEWSA-N
Search Google for chemicals with the same backbone UBVKSFDICLMPLH
Search UniChem for chemical match using the InChIKey UBVKSFDICLMPLH-DHIUTWEWSA-N
Search UniChem for chemicals with the same backbone UBVKSFDICLMPLH
Comments
Analogue of vesamicol.