GR 175737   Click here for help

GtoPdb Ligand ID: 1243

Synonyms: GR-175737 | GR175737
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 5
Topological polar surface area 67.6
Molecular weight 288.08
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)Cc1noc(n1)CCc1cnc[nH]1
Isomeric SMILES Clc1ccc(cc1)Cc1noc(n1)CCc1cnc[nH]1
InChI InChI=1S/C14H13ClN4O/c15-11-3-1-10(2-4-11)7-13-18-14(20-19-13)6-5-12-8-16-9-17-12/h1-4,8-9H,5-7H2,(H,16,17)
InChI Key CPOUJACQGWJJQB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-[(4-chlorophenyl)methyl]-5-[2-(3H-imidazol-4-yl)ethyl]-1,2,4-oxadiazole
Synonyms Click here for help
GR-175737 | GR175737
Database Links Click here for help
BindingDB Ligand 50070213
CAS Registry No. 176860-26-7 (source: Scifinder)
ChEMBL Ligand CHEMBL276798
GtoPdb PubChem SID 135650315
PubChem CID 9838905
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