General Information of the Compound
Compound ID
CP0524005
Compound Name
N-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
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Structure
Formula
C16H13N3OS
Molecular Weight
295.367
Canonical SMILES
CN(C(=O)c1ccccc1)c1nc(cs1)-c1ccncc1
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InChI
InChI=1S/C16H13N3OS/c1-19(15(20)13-5-3-2-4-6-13)16-18-14(11-21-16)12-7-9-17-10-8-12/h2-11H,1H3
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InChIKey
AHHXPJLZHPSYLT-UHFFFAOYSA-N
Physicochemical Property
logP
3.4817
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
46.09
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 16661406
SID: 26521421
ChEMBL ID
CHEMBL576121
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: PT01994, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 80 nM
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