General Information of the Compound
Compound ID
CP0577685
Compound Name
3-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]-1,3-oxazolidin-2-one
    Show/Hide
Structure
Formula
C17H17F3N6O3
Molecular Weight
410.356
Canonical SMILES
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOC1=O)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C17H17F3N6O3/c18-17(19,20)11-7-13(21)22-9-10(11)12-8-14(26-3-6-29-16(26)27)24-15(23-12)25-1-4-28-5-2-25/h7-9H,1-6H2,(H2,21,22)
    Show/Hide
InChIKey
LDYBUACKYNEFHT-UHFFFAOYSA-N
Physicochemical Property
logP
1.9328
Rotatable Bonds
3
Heavy Atom Count
29
Polar Areas
106.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
29

"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: 168283846
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: PT07498, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
IC50 = 484 nM
   TI
   LI
   LO
   TS
Protein ID: PT06232, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
IC50 = 443 nM
   TI
   LI
   LO
   TS