General Information of the Compound
Compound ID
CP0877023
Compound Name
(Z)-2-(3-(2-Chlorobenzyloxy)benzylidene)-6,7-dihydro-2H-imidazo-[2,1-b][1,3]thiazin-3(5H)-one
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Structure
Formula
C20H17ClN2O2S
Molecular Weight
384.888
Canonical SMILES
O=C1/C(=C/c2cccc(OCc3ccccc3Cl)c2)N=C2SCCCN12
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InChI
InChI=1S/C20H17ClN2O2S/c21-17-8-2-1-6-15(17)13-25-16-7-3-5-14(11-16)12-18-19(24)23-9-4-10-26-20(23)22-18/h1-3,5-8,11-12H,4,9-10,13H2/b18-12-
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InChIKey
STEMEZOWSYEKBF-PDGQHHTCSA-N
Physicochemical Property
logP
4.595
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
41.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 90667655
ChEMBL ID
CHEMBL3221189
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 > 10000 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 = 1650 nM
   TI
   LI
   LO
   TS