General Information of the Compound
Compound ID
CP0237687
Compound Name
CHEBI:4724
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Synonyms
1-(4-Butoxy-phenyl)-3-piperidin-1-yl-propan-1-one
1-(4-Butoxyphenyl)-3-(1-piperidinyl)-1-propanone
1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one
1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one
1-Propanone, 1-(4-butoxyphenyl)-3-(1-piperidinyl)-(9CI)
2-(1-piperidyl)ethyl p-butoxyphenyl ketone
3-Piperidino-4'-butoxypropiophenone
4'-Butoxy-3-piperidinopropiophenone
4-butoxy-beta-piperidinopropiophenone
4-n-butoxy-beta-(1-piperidyl)propiophenone
Diclonia
Diclonina
Diclonina [INN-Spanish]
Dyclocaine
Dyclocainum
Dyclonin
Dyclonine
Dyclonine (INN)
Dyclonine [INN:BAN]
Dycloninum
Dycloninum [INN-Latin]
Dyclothane
Tanaclone
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Structure
Formula
C18H27NO2
Molecular Weight
289.419
Canonical SMILES
CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
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InChI
InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
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InChIKey
BZEWSEKUUPWQDQ-UHFFFAOYSA-N
CAS
586-60-7
Physicochemical Property
logP
3.9242
Rotatable Bonds
8
Heavy Atom Count
21
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 3180
SID: 15270786
ChEMBL ID
CHEMBL1201217
DrugBank ID
DB00645
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: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 11374.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dyclonine )
Drug Name Dyclonine
Company Astrazeneca Lp
Indication
Pain
Approved
Target(s)
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
 Target Info 
Blocker