compound 13 [PMID: 15686941]   Click here for help

GtoPdb Ligand ID: 6447

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 93.79
Molecular weight 229.1
XLogP 0.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cnc(c(n1)C(=O)Nc1ccccn1)N
Isomeric SMILES Cc1cnc(c(n1)C(=O)Nc1ccccn1)N
InChI InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)
InChI Key NAQODRYELYCKDS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL183081
GtoPdb PubChem SID 178103063
PubChem CID 11206949
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