iodoproxyfan   Click here for help

GtoPdb Ligand ID: 1253

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 6
Topological polar surface area 37.91
Molecular weight 342.02
XLogP 2.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Ic1ccc(cc1)COCCCc1cnc[nH]1
Isomeric SMILES Ic1ccc(cc1)COCCCc1cnc[nH]1
InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)
InChI Key DCQNAFOCXVCDLB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[3-[(4-iodophenyl)methoxy]propyl]-3H-imidazole
Database Links Click here for help
CAS Registry No. 152028-96-1 (source: Scifinder)
ChEMBL Ligand CHEMBL19010
GtoPdb PubChem SID 135650406
PubChem CID 132937
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