compound 1a [PMID: 17556356]

Ligand id: 2833

Name: compound 1a [PMID: 17556356]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 16.96
Molecular weight 332.23
XLogP 7.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-cyclohexyl-N-[[1-(4-methylphenyl)indol-3-yl]methyl]methanamine
Database Links
BindingDB Ligand 22420
ChEMBL Ligand CHEMBL478524
DrugBank Ligand DB06833
PubChem CID 16122612
RCSB PDB Ligand 47, 047
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Search UniChem for chemical match using the InChIKey MMIJMYOYKAKQPN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MMIJMYOYKAKQPN