General Information of the Compound
Compound ID
CP0859209
Compound Name
(Z)-2-(3-(2,4-Dichlorobenzyloxy)benzylidene)-6,7-dihydro-2Himidazo[2,1-b][1,3]thiazin-3(5H)-one
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Structure
Formula
C20H16Cl2N2O2S
Molecular Weight
419.333
Canonical SMILES
O=C1/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N=C2SCCCN12
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InChI
InChI=1S/C20H16Cl2N2O2S/c21-15-6-5-14(17(22)11-15)12-26-16-4-1-3-13(9-16)10-18-19(25)24-7-2-8-27-20(24)23-18/h1,3-6,9-11H,2,7-8,12H2/b18-10-
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InChIKey
XHZPDJWLDJSJEG-ZDLGFXPLSA-N
Physicochemical Property
logP
5.2484
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
41.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 90667656
ChEMBL ID
CHEMBL3221190
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 = 2090 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 = 950 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 = 2550 nM
   TI
   LI
   LO
   TS