General Information of the Compound
Compound ID
CP0557814
Compound Name
3-[(2,4-dichloro-5-hydroxyphenyl)methyl]-5-phenyl-1,3-oxazolidin-2-one
    Show/Hide
Structure
Formula
C16H13Cl2NO3
Molecular Weight
338.19
Canonical SMILES
Oc1cc(CN2CC(OC2=O)c2ccccc2)c(Cl)cc1Cl
    Show/Hide
InChI
InChI=1S/C16H13Cl2NO3/c17-12-7-13(18)14(20)6-11(12)8-19-9-15(22-16(19)21)10-4-2-1-3-5-10/h1-7,15,20H,8-9H2
    Show/Hide
InChIKey
JRDMZVFOGVPJRO-UHFFFAOYSA-N
Physicochemical Property
logP
4.3925
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
49.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 137635527
ChEMBL ID
CHEMBL4063561
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: PT04078, Acyl-CoA (8-3)-desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS