General Information of the Compound
Compound ID
CP0562341
Compound Name
2,2-Diphenyl-N-(2-piperidin-1-yl-ethyl)-acetamide
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Structure
Formula
C21H26N2O
Molecular Weight
322.452
Canonical SMILES
O=C(NCCN1CCCCC1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H26N2O/c24-21(22-14-17-23-15-8-3-9-16-23)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)
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InChIKey
MWYOFPSSMVPDDI-UHFFFAOYSA-N
Physicochemical Property
logP
3.4206
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: 10496096
SID: 15520948
ChEMBL ID
CHEMBL40061
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 = 7200 nM
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