General Information of the Compound
Compound ID
CP0535742
Compound Name
N-[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-3-cyclohexylpropanamide
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Structure
Formula
C23H27N3O
Molecular Weight
361.489
Canonical SMILES
Cc1ccc(NC(=O)CCC2CCCCC2)cc1-c1nc2ccccc2[nH]1
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InChI
InChI=1S/C23H27N3O/c1-16-11-13-18(24-22(27)14-12-17-7-3-2-4-8-17)15-19(16)23-25-20-9-5-6-10-21(20)26-23/h5-6,9-11,13,15,17H,2-4,7-8,12,14H2,1H3,(H,24,27)(H,25,26)
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InChIKey
LMAPJURKCARGLM-UHFFFAOYSA-N
Physicochemical Property
logP
5.83732
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
57.78
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 10689961
SID: 15723773
ChEMBL ID
CHEMBL115304
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 = 1300 nM
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