cirazoline   Click here for help

GtoPdb Ligand ID: 515

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 33.62
Molecular weight 216.13
XLogP 2.22
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CN=C(N1)COc1ccccc1C1CC1
Isomeric SMILES C1CN=C(N1)COc1ccccc1C1CC1
InChI InChI=1S/C13H16N2O/c1-2-4-12(11(3-1)10-5-6-10)16-9-13-14-7-8-15-13/h1-4,10H,5-9H2,(H,14,15)
InChI Key YAORIDZYZDUZCM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(2-cyclopropylphenoxy)methyl]-4,5-dihydro-1H-imidazole
International Nonproprietary Names Click here for help
INN number INN
4221 cirazoline
Database Links Click here for help
BindingDB Ligand 50027060
CAS Registry No. 59939-16-1 (source: Scifinder)
ChEMBL Ligand CHEMBL13852
GtoPdb PubChem SID 135650103
PubChem CID 2765
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Wikipedia Cirazoline