GR 128107   Click here for help

GtoPdb Ligand ID: 1348

Synonyms: GR-128107 | GR128107 | L000276
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 45.33
Molecular weight 272.15
XLogP 2.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)c(c[nH]2)C1CCCN(C1)C(=O)C
Isomeric SMILES COc1ccc2c(c1)c(c[nH]2)C1CCCN(C1)C(=O)C
InChI InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3
InChI Key RBINAFTXZHPTNU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[3-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
Synonyms Click here for help
GR-128107 | GR128107 | L000276
Database Links Click here for help
ChEMBL Ligand CHEMBL3260983
GtoPdb PubChem SID 135650313
PubChem CID 44208891
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