General Information of the Compound
Compound ID
CP0374128
Compound Name
1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
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Structure
Formula
C23H24Cl2N4O
Molecular Weight
443.378
Canonical SMILES
CCc1c(nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)C(=O)NN1CCCCC1
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InChI
InChI=1S/C23H24Cl2N4O/c1-2-20-21(23(30)27-28-14-6-3-7-15-28)26-22(18-8-4-5-9-19(18)25)29(20)17-12-10-16(24)11-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,27,30)
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InChIKey
WIUAZKNCWYGPFK-UHFFFAOYSA-N
Physicochemical Property
logP
5.5392
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
50.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 10114327
SID: 15103018
ChEMBL ID
CHEMBL583855
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: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 31622.78 nM
   TI
   LI
   LO
   TS
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
Kd = 0.1585 nM
   TI
   LI
   LO
   TS
2
Ki = 14 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 > 1000 nM
   TI
   LI
   LO
   TS