General Information of the Compound
Compound ID
CP0335843
Compound Name
6-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrazine-2-carboxamide
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Structure
Formula
C19H16ClN3O3
Molecular Weight
369.808
Canonical SMILES
COc1cc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)cc(OC)c1
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InChI
InChI=1S/C19H16ClN3O3/c1-25-15-7-14(8-16(9-15)26-2)22-19(24)18-11-21-10-17(23-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,22,24)
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InChIKey
CVPCOUAWFKLXEO-UHFFFAOYSA-N
Physicochemical Property
logP
4.0665
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
73.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 52949235
ChEMBL ID
CHEMBL1277512
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 6 nM
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Protein ID: PT03008, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1070 nM
   TI
   LI
   LO
   TS