General Information of the Compound
Compound ID
CP0435963
Compound Name
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-((1R,2R)-2-(methylamino)cyclohexyl)-1H-imidazole-4-carboxamide
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Structure
Formula
C23H23Cl3N4O
Molecular Weight
477.823
Canonical SMILES
CN[C@@H]1CCCC[C@H]1NC(=O)c1cn(c(n1)-c1ccc(Cl)cc1Cl)-c1ccc(Cl)cc1
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InChI
InChI=1S/C23H23Cl3N4O/c1-27-19-4-2-3-5-20(19)29-23(31)21-13-30(16-9-6-14(24)7-10-16)22(28-21)17-11-8-15(25)12-18(17)26/h6-13,19-20,27H,2-5H2,1H3,(H,29,31)/t19-,20-/m1/s1
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InChIKey
CQVZQGJMJODCOE-WOJBJXKFSA-N
Physicochemical Property
logP
5.7599
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
58.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 44425214
ChEMBL ID
CHEMBL229913
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 920 nM
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