E6801   Click here for help

GtoPdb Ligand ID: 3217

Synonyms: E 6801 | E-6801
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 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 119.12
Molecular weight 423.06
XLogP 2.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN(CCc1c[nH]c2c1cc(cc2)NS(=O)(=O)c1c(Cl)nc2n1ccs2)C
Isomeric SMILES CN(CCc1c[nH]c2c1cc(cc2)NS(=O)(=O)c1c(Cl)nc2n1ccs2)C
InChI InChI=1S/C17H18ClN5O2S2/c1-22(2)6-5-11-10-19-14-4-3-12(9-13(11)14)21-27(24,25)16-15(18)20-17-23(16)7-8-26-17/h3-4,7-10,19,21H,5-6H2,1-2H3
InChI Key RZAXUKVIIWUIOM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-chloro-N-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]imidazo[2,3-b][1,3]thiazole-5-sulfonamide
Synonyms Click here for help
E 6801 | E-6801
Database Links Click here for help
BindingDB Ligand 34152
CAS Registry No. 528859-04-3 (source: Scifinder)
ChEMBL Ligand CHEMBL362628
GtoPdb PubChem SID 178100278
PubChem CID 10202564
Search Google for chemical match using the InChIKey RZAXUKVIIWUIOM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RZAXUKVIIWUIOM
UniChem Compound Search for chemical match using the InChIKey RZAXUKVIIWUIOM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RZAXUKVIIWUIOM-UHFFFAOYSA-N
Wikipedia E-6801