General Information of the Compound
Compound ID
CP0469181
Compound Name
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
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Structure
Formula
C18H14ClN3O3S
Molecular Weight
387.848
Canonical SMILES
COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl
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InChI
InChI=1S/C18H14ClN3O3S/c1-25-16-8-11(21-18(24)15-9-26-10-20-15)6-7-14(16)22-17(23)12-4-2-3-5-13(12)19/h2-10H,1H3,(H,21,24)(H,22,23)
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InChIKey
XMPKEIYDTXWNTM-UHFFFAOYSA-N
Physicochemical Property
logP
4.3097
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
80.32
Hydrogen Bond Donor Count
2
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: 51003232
SID: 117686457
ChEMBL ID
CHEMBL1672233
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 = 753 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 = 845 nM
   TI
   LI
   LO
   TS