General Information of the Compound
Compound ID
CP0526480
Compound Name
3-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
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Structure
Formula
C25H23Cl2N3O4
Molecular Weight
500.382
Canonical SMILES
COc1ccc2nccc(C3CN(C4CCN(CC4)C(=O)c4ccc(Cl)c(Cl)c4)C(=O)O3)c2c1
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InChI
InChI=1S/C25H23Cl2N3O4/c1-33-17-3-5-22-19(13-17)18(6-9-28-22)23-14-30(25(32)34-23)16-7-10-29(11-8-16)24(31)15-2-4-20(26)21(27)12-15/h2-6,9,12-13,16,23H,7-8,10-11,14H2,1H3
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InChIKey
XINSEQKDTJNMSQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.3483
Rotatable Bonds
4
Heavy Atom Count
34
Polar Areas
71.97
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 44439909
ChEMBL ID
CHEMBL430012
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 = 6309.57 nM
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