General Information of the Compound
Compound ID
CP0480456
Compound Name
N-[3-(cyclohexanecarbonylamino)phenyl]benzamide
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Structure
Formula
C20H22N2O2
Molecular Weight
322.408
Canonical SMILES
O=C(Nc1cccc(NC(=O)c2ccccc2)c1)C1CCCCC1
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InChI
InChI=1S/C20H22N2O2/c23-19(15-8-3-1-4-9-15)21-17-12-7-13-18(14-17)22-20(24)16-10-5-2-6-11-16/h1,3-4,7-9,12-14,16H,2,5-6,10-11H2,(H,21,23)(H,22,24)
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InChIKey
GDNDWRCRYHNYTQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4577
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 17744755
ChEMBL ID
CHEMBL3184095
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: PT06019, Potassium channel subfamily K member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 79 nM
   TI
   LI
   LO
   TS
Protein ID: PT05440, Potassium channel subfamily K member 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5480 nM
   TI
   LI
   LO
   TS