General Information of the Compound
Compound ID
CP0530263
Compound Name
4-Amino-N-[5-(3-cyclohexyl-propionylamino)-2-methyl-phenyl]-benzamide
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Structure
Formula
C23H29N3O2
Molecular Weight
379.504
Canonical SMILES
Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1ccc(N)cc1
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InChI
InChI=1S/C23H29N3O2/c1-16-7-13-20(25-22(27)14-8-17-5-3-2-4-6-17)15-21(16)26-23(28)18-9-11-19(24)12-10-18/h7,9-13,15,17H,2-6,8,14,24H2,1H3,(H,25,27)(H,26,28)
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InChIKey
MOWMOOJOGGRQIO-UHFFFAOYSA-N
Physicochemical Property
logP
5.12852
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
84.22
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: 10691144
SID: 15725010
ChEMBL ID
CHEMBL115993
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 = 3800 nM
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