BW723C86   Click here for help

GtoPdb Ligand ID: 161

Synonyms: BW-72386
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 79.28
Molecular weight 286.11
XLogP 2.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N
Isomeric SMILES CC(Cc1c[nH]c2c1cc(OCc1cccs1)cc2)N
InChI InChI=1S/C16H18N2OS/c1-11(17)7-12-9-18-16-5-4-13(8-15(12)16)19-10-14-3-2-6-20-14/h2-6,8-9,11,18H,7,10,17H2,1H3
InChI Key ALFGDCNSEBJYSP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[5-(thiophen-2-ylmethoxy)-1H-indol-3-yl]propan-2-amine
Synonyms Click here for help
BW-72386
Database Links Click here for help
Specialist databases
GPCRdb Ligand BW723C86
Other databases
ChEMBL Ligand CHEMBL1255834
GtoPdb PubChem SID 135650041
PubChem CID 4284720
Search Google for chemical match using the InChIKey ALFGDCNSEBJYSP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ALFGDCNSEBJYSP
UniChem Compound Search for chemical match using the InChIKey ALFGDCNSEBJYSP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ALFGDCNSEBJYSP-UHFFFAOYSA-N
Wikipedia BW-723C86