General Information of the Compound
Compound ID
CP0452437
Compound Name
N-(naphthalen-2-ylmethyl)-N-piperidin-4-ylpropanamide
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Structure
Formula
C19H24N2O
Molecular Weight
296.414
Canonical SMILES
CCC(=O)N(Cc1ccc2ccccc2c1)C1CCNCC1
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InChI
InChI=1S/C19H24N2O/c1-2-19(22)21(18-9-11-20-12-10-18)14-15-7-8-16-5-3-4-6-17(16)13-15/h3-8,13,18,20H,2,9-12,14H2,1H3
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InChIKey
INDDCTQFCFNYFA-UHFFFAOYSA-N
Physicochemical Property
logP
3.3304
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: 11616357
SID: 16719258
ChEMBL ID
CHEMBL567288
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: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 12000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 339 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1300 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1 nM
   TI
   LI
   LO
   TS