L-694,247   Click here for help

GtoPdb Ligand ID: 15

Synonyms: L-694247
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 3
Rotatable bonds 7
Topological polar surface area 135.28
Molecular weight 411.14
XLogP 2.55
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCc1c[nH]c2c1cc(cc2)c1onc(n1)Cc1ccc(cc1)NS(=O)(=O)C
Isomeric SMILES NCCc1c[nH]c2c1cc(cc2)c1onc(n1)Cc1ccc(cc1)NS(=O)(=O)C
InChI InChI=1S/C20H21N5O3S/c1-29(26,27)25-16-5-2-13(3-6-16)10-19-23-20(28-24-19)14-4-7-18-17(11-14)15(8-9-21)12-22-18/h2-7,11-12,22,25H,8-10,21H2,1H3
InChI Key HKXMQLISPYELRD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
Synonyms Click here for help
L-694247
Database Links Click here for help
CAS Registry No. 137403-12-4 (source: Scifinder)
ChEMBL Ligand CHEMBL39317
GtoPdb PubChem SID 135650478
PubChem CID 132059
Search Google for chemical match using the InChIKey HKXMQLISPYELRD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HKXMQLISPYELRD
Search UniChem for chemical match using the InChIKey HKXMQLISPYELRD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HKXMQLISPYELRD
Wikipedia L-694,247

Product suppliers

View disclaimer

Tocris
L-694,247
Cat. No. 0781