[3H]JB-93182

Ligand id: 908

Name: [3H]JB-93182    

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 14
Topological polar surface area 177.69
Molecular weight 662.27
XLogP 7.75
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[[(2S)-2-[[6-(1-adamantylmethylcarbamoyl)1H-indole-5-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
Database Links
ChEMBL Ligand CHEMBL14557
PubChem CID 9939572
Search Google for chemical match using the InChIKey DKYQJTXTKSMTHK-FGLZHOHTSA-N
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Search UniChem for chemical match using the InChIKey DKYQJTXTKSMTHK-FGLZHOHTSA-N
Search UniChem for chemicals with the same backbone DKYQJTXTKSMTHK