General Information of the Compound
Compound ID
CP0955403
Compound Name
5-(6-methoxyquinolin-4-yl)-3-(1-methylpiperidin-4-yl)oxazolidin-2-one
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Structure
Formula
C19H23N3O3
Molecular Weight
341.411
Canonical SMILES
COc1ccc2nccc(C3CN(C4CCN(C)CC4)C(=O)O3)c2c1
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InChI
InChI=1S/C19H23N3O3/c1-21-9-6-13(7-10-21)22-12-18(25-19(22)23)15-5-8-20-17-4-3-14(24-2)11-16(15)17/h3-5,8,11,13,18H,6-7,9-10,12H2,1-2H3
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InChIKey
OUEKPUPPUYNXRE-UHFFFAOYSA-N
Physicochemical Property
logP
2.8309
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
54.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 44439884
ChEMBL ID
CHEMBL247763
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 < 50118.72 nM
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   LI
   LO
   TS