GR 113808   

GtoPdb Ligand ID: 247

Synonyms: GR 125487 | GR-113,808 | GR-113808 | GR113808
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 89.02
Molecular weight 393.17
XLogP 2.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C
Isomeric SMILES O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C
InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
InChI Key MOZPSIXKYJUTKI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 1-methylindole-3-carboxylate
Synonyms
GR 125487 | GR-113,808 | GR-113808 | GR113808
Database Links
ChEMBL Ligand CHEMBL33884
GtoPdb PubChem SID 135650309
PubChem CID 119376
Search Google for chemical match using the InChIKey MOZPSIXKYJUTKI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MOZPSIXKYJUTKI
Search UniChem for chemical match using the InChIKey MOZPSIXKYJUTKI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MOZPSIXKYJUTKI
Wikipedia GR-113,808

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Tocris
GR 113808
Cat. No. 1322