General Information of the Compound
Compound ID
CP0508533
Compound Name
N-[5-(4-cyclohexylbutanoylamino)-2-methylphenyl]-4-hydroxybenzamide
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Structure
Formula
C24H30N2O3
Molecular Weight
394.515
Canonical SMILES
Cc1ccc(NC(=O)CCCC2CCCCC2)cc1NC(=O)c1ccc(O)cc1
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InChI
InChI=1S/C24H30N2O3/c1-17-10-13-20(25-23(28)9-5-8-18-6-3-2-4-7-18)16-22(17)26-24(29)19-11-14-21(27)15-12-19/h10-16,18,27H,2-9H2,1H3,(H,25,28)(H,26,29)
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InChIKey
CUMKVKCBMDRPRI-UHFFFAOYSA-N
Physicochemical Property
logP
5.64202
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 10500851
SID: 15525837
ChEMBL ID
CHEMBL115205
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 = 4000 nM
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