(S)-α-methylhistamine   Click here for help

GtoPdb Ligand ID: 1238

Synonyms: (S)-α-MeHA
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 -0.29
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Cc1cnc[nH]1)N
Isomeric SMILES C[C@@H](Cc1cnc[nH]1)N
InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m0/s1
InChI Key XNQIOISZPFVUFG-YFKPBYRVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-1-(3H-imidazol-4-yl)propan-2-amine
Synonyms Click here for help
(S)-α-MeHA
Database Links Click here for help
BindingDB Ligand 22905
ChEMBL Ligand CHEMBL11919
GtoPdb PubChem SID 135650426
PubChem CID 6603865
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