General Information of the Compound
Compound ID
CP0503505
Compound Name
1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)ethyl N-phenylcarbamate
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Structure
Formula
C15H15N3O2S
Molecular Weight
301.371
Canonical SMILES
CC(OC(=O)Nc1ccccc1)c1sc2nccn2c1C
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InChI
InChI=1S/C15H15N3O2S/c1-10-13(21-14-16-8-9-18(10)14)11(2)20-15(19)17-12-6-4-3-5-7-12/h3-9,11H,1-2H3,(H,17,19)
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InChIKey
DOEHRRKVBJGRIT-UHFFFAOYSA-N
Physicochemical Property
logP
4.01392
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
55.63
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: 53323263
ChEMBL ID
CHEMBL1630076
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12.59 nM
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