General Information of the Compound
Compound ID
CP0486199
Compound Name
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-((1R,2R)-2-hydroxycyclopentyl)-1H-imidazole-4-carboxamide
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Structure
Formula
C21H19Cl2N3O2
Molecular Weight
416.308
Canonical SMILES
O[C@@H]1CCC[C@H]1NC(=O)c1cn(c(n1)-c1ccccc1Cl)-c1ccc(Cl)cc1
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InChI
InChI=1S/C21H19Cl2N3O2/c22-13-8-10-14(11-9-13)26-12-18(21(28)25-17-6-3-7-19(17)27)24-20(26)15-4-1-2-5-16(15)23/h1-2,4-5,8-12,17,19,27H,3,6-7H2,(H,25,28)/t17-,19-/m1/s1
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InChIKey
OWLDJASELBBGJT-IEBWSBKVSA-N
Physicochemical Property
logP
4.4893
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
67.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 23398426
ChEMBL ID
CHEMBL229966
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 = 75 nM
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