General Information of the Compound
Compound ID
CP0849169
Compound Name
(Z)-2-(2,4-Difluorobenzylidene)-6,7-dihydro-2H-imidazo[2,1-b]-[1,3]thiazin-3(5H)-one
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Structure
Formula
C13H10F2N2OS
Molecular Weight
280.299
Canonical SMILES
O=C1/C(=C/c2ccc(F)cc2F)N=C2SCCCN12
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InChI
InChI=1S/C13H10F2N2OS/c14-9-3-2-8(10(15)7-9)6-11-12(18)17-4-1-5-19-13(17)16-11/h2-3,6-7H,1,4-5H2/b11-6-
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InChIKey
GDDXOHJBSCMDQG-WDZFZDKYSA-N
Physicochemical Property
logP
2.6408
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
32.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 90667467
ChEMBL ID
CHEMBL3220955
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 = 3460 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