General Information of the Compound
Compound ID
CP0269892
Compound Name
6-(4-chlorophenyl)-N-(3-methylphenyl)pyrazine-2-carboxamide
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Structure
Formula
C18H14ClN3O
Molecular Weight
323.783
Canonical SMILES
Cc1cccc(NC(=O)c2cncc(n2)-c2ccc(Cl)cc2)c1
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InChI
InChI=1S/C18H14ClN3O/c1-12-3-2-4-15(9-12)21-18(23)17-11-20-10-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(H,21,23)
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InChIKey
ZJSGQXWOWAVZPO-UHFFFAOYSA-N
Physicochemical Property
logP
4.35772
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 52943146
ChEMBL ID
CHEMBL1277513
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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   LI
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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 = 960 nM
   TI
   LI
   LO
   TS