General Information of the Compound
Compound ID
CP0510947
Compound Name
5-(6-methoxyquinolin-4-yl)-3-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
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Structure
Formula
C29H29N3O3
Molecular Weight
467.569
Canonical SMILES
COc1ccc2nccc(C3CN(C4CCN(Cc5ccc6ccccc6c5)CC4)C(=O)O3)c2c1
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InChI
InChI=1S/C29H29N3O3/c1-34-24-8-9-27-26(17-24)25(10-13-30-27)28-19-32(29(33)35-28)23-11-14-31(15-12-23)18-20-6-7-21-4-2-3-5-22(21)16-20/h2-10,13,16-17,23,28H,11-12,14-15,18-19H2,1H3
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InChIKey
CXPWIZLGIZBSFJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.5545
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
54.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 10004785
SID: 14984650
ChEMBL ID
CHEMBL247762
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: PT03816, C-C chemokine receptor type 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 1258.93 nM
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