General Information of the Compound
Compound ID
CP0510944
Compound Name
3-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
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Structure
Formula
C25H25Cl2N3O3
Molecular Weight
486.399
Canonical SMILES
COc1ccc2nccc(C3CN(C4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1
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InChI
InChI=1S/C25H25Cl2N3O3/c1-32-18-3-5-23-20(13-18)19(6-9-28-23)24-15-30(25(31)33-24)17-7-10-29(11-8-17)14-16-2-4-21(26)22(27)12-16/h2-6,9,12-13,17,24H,7-8,10-11,14-15H2,1H3
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InChIKey
UPBONKUQKKQLND-UHFFFAOYSA-N
Physicochemical Property
logP
5.7081
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
54.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 10480554
SID: 15504450
ChEMBL ID
CHEMBL395211
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 = 125.89 nM
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