methimepip   Click here for help

GtoPdb Ligand ID: 1254

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 2
Topological polar surface area 31.92
Molecular weight 179.14
XLogP 0.62
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN1CCC(CC1)Cc1[nH]cnc1
Isomeric SMILES CN1CCC(CC1)Cc1[nH]cnc1
InChI InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
InChI Key KIAVPENCSGKVQP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-(3H-imidazol-4-ylmethyl)-1-methylpiperidine
Database Links Click here for help
BindingDB Ligand 22909
CAS Registry No. 151070-80-3 (source: Scifinder)
ChEMBL Ligand CHEMBL175782
GtoPdb PubChem SID 135650583
PubChem CID 11313837
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Wikipedia Methimepip