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
Specialist databases
GPCRdb Ligand ACDPP
Other databases
ChEMBL Ligand CHEMBL1616372
GtoPdb PubChem SID 178100405
PubChem CID 16759169
Search Google for chemical match using the InChIKey RNGRUHWJJPTYNR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey RNGRUHWJJPTYNR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RNGRUHWJJPTYNR-UHFFFAOYSA-N