General Information of the Compound
Compound ID
CP0931875
Compound Name
3-(pyridin-3-yloxy)-N-(thiazol-2-yl)benzamide
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Structure
Formula
C15H11N3O2S
Molecular Weight
297.339
Canonical SMILES
O=C(Nc1nccs1)c1cccc(Oc2cccnc2)c1
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InChI
InChI=1S/C15H11N3O2S/c19-14(18-15-17-7-8-21-15)11-3-1-4-12(9-11)20-13-5-2-6-16-10-13/h1-10H,(H,17,18,19)
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InChIKey
QMHYKWFUKHKQCR-UHFFFAOYSA-N
Physicochemical Property
logP
3.5827
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
64.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 72375743
ChEMBL ID
CHEMBL2440652
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 > 10000 nM
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