General Information of the Compound
Compound ID
CP0940706
Compound Name
N-(2-(pyrrolidin-1-yl-2,5-dione)phenyl)-2-phenylbutanamide
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Structure
Formula
C20H20N2O3
Molecular Weight
336.391
Canonical SMILES
CCC(C(=O)Nc1ccccc1N1C(=O)CCC1=O)c1ccccc1
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InChI
InChI=1S/C20H20N2O3/c1-2-15(14-8-4-3-5-9-14)20(25)21-16-10-6-7-11-17(16)22-18(23)12-13-19(22)24/h3-11,15H,2,12-13H2,1H3,(H,21,25)
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InChIKey
YQYRUKVKTIJTLD-UHFFFAOYSA-N
Physicochemical Property
logP
3.4723
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
66.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 51003803
SID: 144218399
ChEMBL ID
CHEMBL2163679
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: PT03912, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
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