General Information of the Compound
Compound ID
CP0562340
Compound Name
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,2-diphenylacetamide
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Structure
Formula
C21H26N2O
Molecular Weight
322.452
Canonical SMILES
CN1CCCC1CCNC(=O)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H26N2O/c1-23-16-8-13-19(23)14-15-22-21(24)20(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3,(H,22,24)
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InChIKey
GCVLUJXZWASWPI-UHFFFAOYSA-N
Physicochemical Property
logP
3.419
Rotatable Bonds
6
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: 10615838
SID: 15646088
ChEMBL ID
CHEMBL40078
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: PT04059, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 32000 nM
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