General Information of the Compound
Compound ID
CP0499735
Compound Name
2-phenyl-N-(2-pyrrolidin-1-ylphenyl)propanamide
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Structure
Formula
C19H22N2O
Molecular Weight
294.398
Canonical SMILES
CC(C(=O)Nc1ccccc1N1CCCC1)c1ccccc1
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InChI
InChI=1S/C19H22N2O/c1-15(16-9-3-2-4-10-16)19(22)20-17-11-5-6-12-18(17)21-13-7-8-14-21/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,20,22)
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InChIKey
HXJLYJPYNFLZNF-UHFFFAOYSA-N
Physicochemical Property
logP
4.029
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 52914881
SID: 144217351
ChEMBL ID
CHEMBL2164049
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 = 260 nM
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