General Information of the Compound
Compound ID
CP0371933
Compound Name
N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]-2-methoxybenzamide
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Structure
Formula
C24H25FN2O2
Molecular Weight
392.474
Canonical SMILES
COc1ccccc1C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1
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InChI
InChI=1S/C24H25FN2O2/c1-29-23-5-3-2-4-22(23)24(28)26-21-10-12-27(13-11-21)16-17-6-7-19-15-20(25)9-8-18(19)14-17/h2-9,14-15,21H,10-13,16H2,1H3,(H,26,28)
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InChIKey
MMFNQGNFRBPQPS-UHFFFAOYSA-N
Physicochemical Property
logP
4.3819
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 44452083
ChEMBL ID
CHEMBL260649
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 = 720 nM
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