General Information of the Compound
Compound ID
CP0849399
Compound Name
6,6-diphenyl-2,3-dihydroimidazo[2,1-b]thiazol-5(6H)-one
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Structure
Formula
C17H14N2OS
Molecular Weight
294.379
Canonical SMILES
O=C1N2CCSC2=NC1(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C17H14N2OS/c20-15-17(13-7-3-1-4-8-13,14-9-5-2-6-10-14)18-16-19(15)11-12-21-16/h1-10H,11-12H2
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InChIKey
FYIWQGOPDHFVJD-UHFFFAOYSA-N
CAS
42748-70-9
Physicochemical Property
logP
2.8752
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
32.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 320263
ChEMBL ID
CHEMBL3220947
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 21100 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05453, G-protein coupled receptor 55
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06110, N-arachidonyl glycine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS