General Information of the Compound
Compound ID
CP0536935
Compound Name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,2-diphenylacetamide
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Structure
Formula
C21H24N2O
Molecular Weight
320.436
Canonical SMILES
O=C(NC1CN2CCC1CC2)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H24N2O/c24-21(22-19-15-23-13-11-16(19)12-14-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19-20H,11-15H2,(H,22,24)
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InChIKey
CZMISADZIAZQLJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.0289
Rotatable Bonds
4
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: 4642928
SID: 15745792
ChEMBL ID
CHEMBL435767
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 = 95000 nM
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