General Information of the Compound
Compound ID
CP0915883
Compound Name
3-(1-(3,4-dichlorophenylsulfonyl)piperidin-4-yl)-5-(6-methoxyquinolin-4-yl)oxazolidin-2-one
    Show/Hide
Structure
Formula
C24H23Cl2N3O5S
Molecular Weight
536.437
Canonical SMILES
COc1ccc2nccc(C3CN(C4CCN(S(=O)(=O)c5ccc(Cl)c(Cl)c5)CC4)C(=O)O3)c2c1
    Show/Hide
InChI
InChI=1S/C24H23Cl2N3O5S/c1-33-16-2-5-22-19(12-16)18(6-9-27-22)23-14-29(24(30)34-23)15-7-10-28(11-8-15)35(31,32)17-3-4-20(25)21(26)13-17/h2-6,9,12-13,15,23H,7-8,10-11,14H2,1H3
    Show/Hide
InChIKey
CYWUOUYBLQTFGG-UHFFFAOYSA-N
Physicochemical Property
logP
4.8968
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
89.04
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44439911
ChEMBL ID
CHEMBL245365
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
   TI
   LI
   LO
   TS