ACDPP   Click here for help

GtoPdb Ligand ID: 3388

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 97.03
Molecular weight 292.08
XLogP 1.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1nc(Cl)c(nc1N)N(C)C)Nc1cccnc1
Isomeric SMILES O=C(c1nc(Cl)c(nc1N)N(C)C)Nc1cccnc1
InChI InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20)
InChI Key RNGRUHWJJPTYNR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-amino-6-chloro-5-(dimethylamino)-N-(pyridin-3-yl)pyrazine-2-carboxamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1616372
GtoPdb PubChem SID 178100405
PubChem CID 16759169
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