General Information of the Compound
Compound ID
CP0344137
Compound Name
6-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
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Structure
Formula
C19H16ClN3O
Molecular Weight
337.81
Canonical SMILES
Cc1ccccc1CNC(=O)c1cncc(n1)-c1ccc(Cl)cc1
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InChI
InChI=1S/C19H16ClN3O/c1-13-4-2-3-5-15(13)10-22-19(24)18-12-21-11-17(23-18)14-6-8-16(20)9-7-14/h2-9,11-12H,10H2,1H3,(H,22,24)
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InChIKey
PYRAASWZAHJFKG-UHFFFAOYSA-N
Physicochemical Property
logP
4.03542
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 52943132
ChEMBL ID
CHEMBL1277606
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 = 27 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 = 1340 nM
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   LI
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   TS