General Information of the Compound
Compound ID
CP0449667
Compound Name
2-(3-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
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Structure
Formula
C18H19FN2O
Molecular Weight
298.361
Canonical SMILES
Fc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1
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InChI
InChI=1S/C18H19FN2O/c19-15-7-5-6-14(12-15)13-18(22)20-16-8-1-2-9-17(16)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,22)
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InChIKey
TXDQOSIYVIHIPR-UHFFFAOYSA-N
Physicochemical Property
logP
3.6071
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: 28015104
SID: 144217704
ChEMBL ID
CHEMBL2164065
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
EC50 = 490 nM
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