General Information of the Compound
Compound ID
CP0524003
Compound Name
4-methoxy-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
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Structure
Formula
C17H15N3O2S
Molecular Weight
325.393
Canonical SMILES
COc1ccc(cc1)C(=O)N(C)c1nc(cs1)-c1ccncc1
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InChI
InChI=1S/C17H15N3O2S/c1-20(16(21)13-3-5-14(22-2)6-4-13)17-19-15(11-23-17)12-7-9-18-10-8-12/h3-11H,1-2H3
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InChIKey
QNGNSFCTGXNQOR-UHFFFAOYSA-N
Physicochemical Property
logP
3.4903
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
55.32
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 45486781
ChEMBL ID
CHEMBL568321
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 = 1500 nM
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