L741742   Click here for help

GtoPdb Ligand ID: 3302

Synonyms: L 741742 | L-741,742 | L-741742
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 29.27
Molecular weight 380.17
XLogP 5.61
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc(cc1)c1onc(c1C)C1CCN(CC1)CCc1ccccc1
Isomeric SMILES Clc1ccc(cc1)c1onc(c1C)C1CCN(CC1)CCc1ccccc1
InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3
InChI Key QDMAKDIDFJTXEL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[5-(4-chlorophenyl)-4-methyl-1,2-oxazol-3-yl]-1-(2-phenylethyl)piperidine
Synonyms Click here for help
L 741742 | L-741,742 | L-741742
Database Links Click here for help
CAS Registry No. 156337-32-5 (source: Scifinder)
ChEMBL Ligand CHEMBL444309
GtoPdb PubChem SID 178100339
PubChem CID 133008
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Tocris
L-741,742 hydrochloride
Cat. No. 1004