4-methylhistamine   Click here for help

GtoPdb Ligand ID: 1269

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 2
Rotatable bonds 2
Topological polar surface area 54.7
Molecular weight 125.1
XLogP -0.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1c(CCN)nc[nH]1
Isomeric SMILES Cc1c(CCN)nc[nH]1
InChI InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
InChI Key UGYXPZQILZRKJJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(5-methyl-1H-imidazol-4-yl)ethanamine
Database Links Click here for help
BindingDB Ligand 22880
ChEBI CHEBI:110414
ChEMBL Ligand CHEMBL275443
GtoPdb PubChem SID 135649802
PubChem CID 37463
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Wikipedia 4-Methylhistamine