clotrimazole   Click here for help

GtoPdb Ligand ID: 2330

Synonyms: Canesten® | Lotrimin®
Approved drug PDB Ligand
clotrimazole is an approved drug (FDA (1975))
Compound class: Synthetic organic
Comment: Clotrimazole is an anti-fungal agent.
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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 4
Topological polar surface area 17.82
Molecular weight 344.11
XLogP 6.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1
Isomeric SMILES Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1
InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChI Key VNFPBHJOKIVQEB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1975))
IUPAC Name Click here for help
1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole
International Nonproprietary Names Click here for help
INN number INN
2912 clotrimazole
Synonyms Click here for help
Canesten® | Lotrimin®
Database Links Click here for help
BindingDB Ligand 31774
CAS Registry No. 23593-75-1
ChEBI CHEBI:3764
ChEMBL Ligand CHEMBL104
DrugBank Ligand DB00257
DrugCentral Ligand 719
GtoPdb PubChem SID 135650114
PubChem CID 2812
RCSB PDB Ligand CL6
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Wikipedia Clotrimazole

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Tocris
Clotrimazole
Cat. No. 4096