General Information of the Compound
Compound ID
CP0383382
Compound Name
2-Chloro-6-(4-chloro-phenyl)-5-(4-methanesulfonyl-phenyl)-imidazo[2,1-b]thiazole
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Structure
Formula
C18H12Cl2N2O2S2
Molecular Weight
423.346
Canonical SMILES
CS(=O)(=O)c1ccc(cc1)-c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
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InChI
InChI=1S/C18H12Cl2N2O2S2/c1-26(23,24)14-8-4-12(5-9-14)17-16(11-2-6-13(19)7-3-11)21-18-22(17)10-15(20)25-18/h2-10H,1H3
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InChIKey
FORAUJOOUWODMZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.4401
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
51.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 11774557
SID: 16883859
ChEMBL ID
CHEMBL148708
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: PT00940, Prostaglandin G/H synthase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 16 nM
   TI
   LI
   LO
   TS