General Information of the Compound
Compound ID
CP0510759
Compound Name
[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl] N-phenylcarbamate
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Structure
Formula
C23H23FN2O2
Molecular Weight
378.447
Canonical SMILES
Fc1ccc2cc(CN3CCC(CC3)OC(=O)Nc3ccccc3)ccc2c1
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InChI
InChI=1S/C23H23FN2O2/c24-20-9-8-18-14-17(6-7-19(18)15-20)16-26-12-10-22(11-13-26)28-23(27)25-21-4-2-1-3-5-21/h1-9,14-15,22H,10-13,16H2,(H,25,27)
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InChIKey
NSHYFOQUYAADRX-UHFFFAOYSA-N
Physicochemical Property
logP
5.192
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 44452172
ChEMBL ID
CHEMBL258997
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: PT01215, C-C chemokine receptor type 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000795 300-19 Mus musculus (Mouse)  1
1
IC50 = 4800 nM
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