compound 1 [Xiao et al. 2014]

Ligand id: 8301

Name: compound 1 [Xiao et al. 2014]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 73.47
Molecular weight 368.02
XLogP 3.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-(2,4-dichlorophenyl)-1-methylsulfonylindol-3-yl]methanamine
Synonyms
indole sufonamide 1
Database Links
GtoPdb PubChem SID 252166513
PubChem CID 91623329
RCSB PDB Ligand CJP
Search Google for chemical match using the InChIKey MTMKFBZYRGNPDF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MTMKFBZYRGNPDF
Search UniChem for chemical match using the InChIKey MTMKFBZYRGNPDF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MTMKFBZYRGNPDF
SynPHARM 81938 (in complex with dipeptidyl peptidase 4)