General Information of the Compound
Compound ID
CP0465473
Compound Name
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrazine-2-carboxamide
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Structure
Formula
C19H15ClN4O3
Molecular Weight
382.807
Canonical SMILES
COc1cc(NC(=O)c2cnccn2)ccc1NC(=O)c1ccccc1Cl
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InChI
InChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-11-21-8-9-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25)
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InChIKey
BGCVQXIDOHQTKF-UHFFFAOYSA-N
Physicochemical Property
logP
3.6432
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
93.21
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 51003233
SID: 117686459
ChEMBL ID
CHEMBL1672235
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1120 nM
   TI
   LI
   LO
   TS
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1780 nM
   TI
   LI
   LO
   TS