General Information of the Compound
Compound ID
CP0510946
Compound Name
3-[1-(cyclohexylmethyl)piperidin-4-yl]-5-(6-methoxyquinolin-4-yl)-1,3-oxazolidin-2-one
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Structure
Formula
C25H33N3O3
Molecular Weight
423.557
Canonical SMILES
COc1ccc2nccc(C3CN(C4CCN(CC5CCCCC5)CC4)C(=O)O3)c2c1
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InChI
InChI=1S/C25H33N3O3/c1-30-20-7-8-23-22(15-20)21(9-12-26-23)24-17-28(25(29)31-24)19-10-13-27(14-11-19)16-18-5-3-2-4-6-18/h7-9,12,15,18-19,24H,2-6,10-11,13-14,16-17H2,1H3
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InChIKey
QYDKOWROHHZSPY-UHFFFAOYSA-N
Physicochemical Property
logP
4.7814
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
54.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 44439885
ChEMBL ID
CHEMBL247963
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 = 7943.28 nM
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