[3H]GR65630   Click here for help

GtoPdb Ligand ID: 2303

Synonyms: [3H]-GR65630
 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 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 50.68
Molecular weight 267.14
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1cn(c2c1cccc2)C)CCc1nc[nH]c1C
Isomeric SMILES O=C(c1cn(c2c1cccc2)C)CCc1nc[nH]c1C
InChI InChI=1S/C16H17N3O/c1-11-14(18-10-17-11)7-8-16(20)13-9-19(2)15-6-4-3-5-12(13)15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChI Key QZNZJWLUNDXZQA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one
Synonyms Click here for help
[3H]-GR65630
Database Links Click here for help
BindingDB Ligand 50042713
ChEBI CHEBI:301262
ChEMBL Ligand CHEMBL122903
GtoPdb PubChem SID 135651156
PubChem CID 5311136
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