General Information of the Compound
Compound ID
CP0520247
Compound Name
2-Methoxy-N-methyl-N-(4-oxo-1-phenyl-cyclohexylmethyl)-benzamide
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Structure
Formula
C22H25NO3
Molecular Weight
351.446
Canonical SMILES
COc1ccccc1C(=O)N(C)CC1(CCC(=O)CC1)c1ccccc1
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InChI
InChI=1S/C22H25NO3/c1-23(21(25)19-10-6-7-11-20(19)26-2)16-22(14-12-18(24)13-15-22)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
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InChIKey
KEMPAKJLWYEOFS-UHFFFAOYSA-N
Physicochemical Property
logP
3.8483
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 44270827
ChEMBL ID
CHEMBL265334
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS