General Information of the Compound
Compound ID
CP0558112
Compound Name
3-[6-[3-(trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
    Show/Hide
Structure
Formula
C16H18F3NO3
Molecular Weight
329.318
Canonical SMILES
FC(F)(F)c1cccc(CCCCCC(=O)N2CCOC2=O)c1
    Show/Hide
InChI
InChI=1S/C16H18F3NO3/c17-16(18,19)13-7-4-6-12(11-13)5-2-1-3-8-14(21)20-9-10-23-15(20)22/h4,6-7,11H,1-3,5,8-10H2
    Show/Hide
InChIKey
FCUGMUSKRFVBGM-UHFFFAOYSA-N
Physicochemical Property
logP
3.7871
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 145976181
ChEMBL ID
CHEMBL4207070
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: PT03010, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 58 nM
   TI
   LI
   LO
   TS