General Information of the Compound
Compound ID
CP0381487
Compound Name
N-[2-chloro-4-(pyridine-2-carbonylamino)phenyl]-1,3-thiazole-5-carboxamide
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Structure
Formula
C16H11ClN4O2S
Molecular Weight
358.81
Canonical SMILES
Clc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1cncs1
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InChI
InChI=1S/C16H11ClN4O2S/c17-11-7-10(20-15(22)13-3-1-2-6-19-13)4-5-12(11)21-16(23)14-8-18-9-24-14/h1-9H,(H,20,22)(H,21,23)
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InChIKey
ANIACALCXMZPED-UHFFFAOYSA-N
Physicochemical Property
logP
3.6961
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 51003372
SID: 117686618
ChEMBL ID
CHEMBL1909433
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 = 1730 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 = 2180 nM
   TI
   LI
   LO
   TS