Ligand Id: 1691
Ligand name J-113397

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 47.02
Molecular weight 399.29
XLogP 5.07
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Summary Biological activity References Structure
Classification
Compound class Synthetic organic
IUPAC Name
1-[(3R,4R)-1-(cyclooctylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
Synonyms
1-[(3R,4R)-1-cyclooctylmethyl-3-hydroxymethyl-4-piperidyl]-3-ethyl-1,3-dihydro-2H-benzimidazol-2-one
J113397
J-113,397
Database Links
BindingDB Ligand 50083230
CAS Registry No. 256640-45-6 (source: Scifinder)
ChEMBL Ligand 345652
PubChem CID 5311194
Search Google for chemical match using the InChIKey MBGVUMXBUGIIBQ-LEWJYISDSA-N
Search Google for chemicals with the same backbone MBGVUMXBUGIIBQ
Wikipedia J-113,397
ZINC ZINC01483900

Contact us | Print | Back to top | Help