General Information of the Compound
Compound ID
CP0064667
Compound Name
4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-pmethoxyphenylethyl)-piperidine
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Structure
Formula
C24H30FNO4
Molecular Weight
415.505
Canonical SMILES
COc1ccc(CCN2CCC(CC2)C(=O)c2cccc(OCCF)c2OC)cc1
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InChI
InChI=1S/C24H30FNO4/c1-28-20-8-6-18(7-9-20)10-14-26-15-11-19(12-16-26)23(27)21-4-3-5-22(24(21)29-2)30-17-13-25/h3-9,19H,10-17H2,1-2H3
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InChIKey
GWHHZSAHAOWCRM-UHFFFAOYSA-N
Physicochemical Property
logP
4.1895
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 44582708
ChEMBL ID
CHEMBL489408
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: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000744 GF62 Epinephelus awoara (Yellow grouper)  1
1
Ki = 153 nM
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