liarozole   Click here for help

GtoPdb Ligand ID: 5210

Compound class: Synthetic organic
Comment: Liarozole is an racemic mixture of two enantiomers
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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 46.5
Molecular weight 308.08
XLogP 3.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)nc[nH]2
Isomeric SMILES Clc1cccc(c1)C(n1cncc1)c1ccc2c(c1)nc[nH]2
InChI InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)
InChI Key UGFHIPBXIWJXNA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-[(3-chlorophenyl)(1H-imidazol-1-yl)methyl]-1H-1,3-benzodiazole
International Nonproprietary Names Click here for help
INN number INN
6478 liarozole
Database Links Click here for help
CAS Registry No. 115575-11-6
ChEMBL Ligand CHEMBL389433
GtoPdb PubChem SID 178101896
PubChem CID 60652
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Wikipedia Liarozole