General Information of the Compound
Compound ID
CP0437043
Compound Name
3-Cyclohexyl-N-[3-(5-hydroxy-1H-benzoimidazol-2-yl)-4-methyl-phenyl]-propionamide
    Show/Hide
Structure
Formula
C23H27N3O2
Molecular Weight
377.488
Canonical SMILES
Cc1ccc(NC(=O)CCC2CCCCC2)cc1-c1nc2ccc(O)cc2[nH]1
    Show/Hide
InChI
InChI=1S/C23H27N3O2/c1-15-7-9-17(24-22(28)12-8-16-5-3-2-4-6-16)13-19(15)23-25-20-11-10-18(27)14-21(20)26-23/h7,9-11,13-14,16,27H,2-6,8,12H2,1H3,(H,24,28)(H,25,26)
    Show/Hide
InChIKey
ZWRAAIZLFFASPN-UHFFFAOYSA-N
Physicochemical Property
logP
5.54292
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
78.01
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11793994
SID: 16907304
ChEMBL ID
CHEMBL324616
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: PT06106, Low-density lipoprotein receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 700 nM
   TI
   LI
   LO
   TS