compound 4 [PMID: 26218264]   Click here for help

GtoPdb Ligand ID: 8734

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 94.03
Molecular weight 180.1
XLogP 0.09
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(C(N)C)Nc1cccc(n1)N
Isomeric SMILES O=C([C@@H](N)C)Nc1cccc(n1)N
InChI InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/t5-/m0/s1
InChI Key LRIKRUHIPRIMEM-YFKPBYRVSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2S)-2-amino-N-(6-aminopyridin-2-yl)propanamide
Database Links Click here for help
GtoPdb PubChem SID 252827392
PubChem CID 91826683
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