General Information of the Compound
Compound ID
CP0408540
Compound Name
(6Z)-6-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
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Structure
Formula
C19H15ClN2O2S
Molecular Weight
370.861
Canonical SMILES
Clc1ccc(COc2cccc(\C=C3/N=C4SCCN4C3=O)c2)cc1
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InChI
InChI=1S/C19H15ClN2O2S/c20-15-6-4-13(5-7-15)12-24-16-3-1-2-14(10-16)11-17-18(23)22-8-9-25-19(22)21-17/h1-7,10-11H,8-9,12H2/b17-11-
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InChIKey
IRTUCEKNLHYDDY-BOPFTXTBSA-N
Physicochemical Property
logP
4.2049
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
41.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 145971463
ChEMBL ID
CHEMBL4176334
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  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)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
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)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 > 10000 nM
   TI
   LI
   LO
   TS