General Information of the Compound
Compound ID
CP0511199
Compound Name
N-(2-cyclohexylethyl)-3-[(4-hydroxybenzoyl)amino]-4-methylbenzamide
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Structure
Formula
C23H28N2O3
Molecular Weight
380.488
Canonical SMILES
Cc1ccc(cc1NC(=O)c1ccc(O)cc1)C(=O)NCCC1CCCCC1
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InChI
InChI=1S/C23H28N2O3/c1-16-7-8-19(22(27)24-14-13-17-5-3-2-4-6-17)15-21(16)25-23(28)18-9-11-20(26)12-10-18/h7-12,15,17,26H,2-6,13-14H2,1H3,(H,24,27)(H,25,28)
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InChIKey
VKKSPOMAAWSDMV-UHFFFAOYSA-N
Physicochemical Property
logP
4.65312
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
78.43
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).

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PubChem ID
CID: 10786035
SID: 15824775
ChEMBL ID
CHEMBL115779
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 = 2000 nM
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