General Information of the Compound
Compound ID
CP0548796
Compound Name
N-benzyl-4-chloro-N-cyclohexylbenzamide
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Structure
Formula
C20H22ClNO
Molecular Weight
327.855
Canonical SMILES
Clc1ccc(cc1)C(=O)N(Cc1ccccc1)C1CCCCC1
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InChI
InChI=1S/C20H22ClNO/c21-18-13-11-17(12-14-18)20(23)22(19-9-5-2-6-10-19)15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2
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InChIKey
XDFKWGIBQMHSOH-UHFFFAOYSA-N
Physicochemical Property
logP
5.3151
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
23

"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: 24752728
SID: 49655102
ChEMBL ID
CHEMBL4075936
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: PT02949, Advanced glycosylation end product-specific receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 25 nM
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