S6716

Ligand id: 2163

Name: S6716

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 83.9
Molecular weight 446.21
XLogP 8.93
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-(naphthalen-1-ylmethyl)indole-2-carboxamide
Synonyms
3-amidinobenzylindole carboxamide 23
Database Links
BindingDB Ligand 13839
ChEMBL Ligand CHEMBL93758
PubChem CID 9803617
Search Google for chemical match using the InChIKey IDKGPACCMPKKQB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IDKGPACCMPKKQB
Search UniChem for chemical match using the InChIKey IDKGPACCMPKKQB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IDKGPACCMPKKQB