General Information of the Compound
Compound ID
CP0498364
Compound Name
1-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)ethyl N-methyl-N-phenylcarbamate
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Structure
Formula
C15H16N4O2S
Molecular Weight
316.386
Canonical SMILES
CC(OC(=O)N(C)c1ccccc1)c1sc2ncnn2c1C
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InChI
InChI=1S/C15H16N4O2S/c1-10-13(22-14-16-9-17-19(10)14)11(2)21-15(20)18(3)12-7-5-4-6-8-12/h4-9,11H,1-3H3
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InChIKey
IEKLDABYSCMDOV-UHFFFAOYSA-N
Physicochemical Property
logP
3.43322
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
59.73
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 53321917
ChEMBL ID
CHEMBL1630074
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 > 31622.78 nM
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