[3H]GR 113808   Click here for help

GtoPdb Ligand ID: 259

Synonyms: GR 125487 [H3] | GR113808
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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Canonical SMILES O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C
Isomeric SMILES O=C(c1cn(c2c1cccc2)C([3H])([3H])[3H])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/i1T3
InChI Key MOZPSIXKYJUTKI-RLXJOQACSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methyl 1-(tritritiomethyl)indole-3-carboxylate
Synonyms Click here for help
GR 125487 [H3] | GR113808
Database Links Click here for help
ChEMBL Ligand CHEMBL518682
GtoPdb PubChem SID 135651154
PubChem CID 44559101
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