General Information of the Compound
Compound ID
CP0653640
Compound Name
N-(4-(2-chlorobenzamido)-3-methoxyphenyl)thiophene-2-carboxamide
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Structure
Formula
C19H15ClN2O3S
Molecular Weight
386.86
Canonical SMILES
COc1cc(NC(=O)c2cccs2)ccc1NC(=O)c1ccccc1Cl
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InChI
InChI=1S/C19H15ClN2O3S/c1-25-16-11-12(21-19(24)17-7-4-10-26-17)8-9-15(16)22-18(23)13-5-2-3-6-14(13)20/h2-11H,1H3,(H,21,24)(H,22,23)
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InChIKey
RSXKSXZORCZCRG-UHFFFAOYSA-N
Physicochemical Property
logP
4.9147
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 1092658
SID: 117686401
ChEMBL ID
CHEMBL1373422
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 = 860 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 = 1170 nM
   TI
   LI
   LO
   TS