MPA   

GtoPdb Ligand ID: 4595

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 136.51
Molecular weight 285.11
XLogP 1.33
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C
Isomeric SMILES CCCN(c1nc(N)c(nc1Cl)C(=O)N=C(N)N)C
InChI InChI=1S/C10H16ClN7O/c1-3-4-18(2)8-6(11)15-5(7(12)16-8)9(19)17-10(13)14/h3-4H2,1-2H3,(H2,12,16)(H4,13,14,17,19)
InChI Key HDJJAWCPAZTZIG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-amino-6-chloro-N-(diaminomethylidene)-5-[methyl(propyl)amino]pyrazine-2-carboxamide
Database Links
ChEMBL Ligand CHEMBL467106
GtoPdb PubChem SID 178101316
PubChem CID 193326
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