General Information of the Compound
Compound ID
CP0547761
Compound Name
2-cyclopropyl-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
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Structure
Formula
C21H24N2O
Molecular Weight
320.436
Canonical SMILES
O=C(Nc1ccccc1N1CCCC1)C(C1CC1)c1ccccc1
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InChI
InChI=1S/C21H24N2O/c24-21(20(17-12-13-17)16-8-2-1-3-9-16)22-18-10-4-5-11-19(18)23-14-6-7-15-23/h1-5,8-11,17,20H,6-7,12-15H2,(H,22,24)
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InChIKey
RBQJGPMCONTPRW-UHFFFAOYSA-N
Physicochemical Property
logP
4.4191
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
32.34
Hydrogen Bond Donor Count
1
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: 52914897
SID: 144217354
ChEMBL ID
CHEMBL2164052
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 = 3500 nM
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