S3969

Ligand id: 4305

Name: S3969

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 90.42
Molecular weight 320.16
XLogP 3.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-hydroxyethyl)-4-methyl-2-[(4-methyl-1H-indol-3-yl)sulfanyl]pentanamide
Synonyms
S 3969
Database Links
CAS Registry No. 1027997-01-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1628622
GtoPdb PubChem SID 178101122
PubChem CID 46861536
Search Google for chemical match using the InChIKey FTNIWEHRMFLJKE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FTNIWEHRMFLJKE
Search UniChem for chemical match using the InChIKey FTNIWEHRMFLJKE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FTNIWEHRMFLJKE