General Information of the Compound
Compound ID
CP0276259
Compound Name
N-[4-methyl-5-[2-(2,2,2-trifluoroethyl)-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C11H10F3N3O2S
Molecular Weight
305.281
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1cnc(CC(F)(F)F)o1
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InChI
InChI=1S/C11H10F3N3O2S/c1-5-9(20-10(16-5)17-6(2)18)7-4-15-8(19-7)3-11(12,13)14/h4H,3H2,1-2H3,(H,16,17,18)
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InChIKey
UULIVRWXUZHWBK-UHFFFAOYSA-N
Physicochemical Property
logP
3.16972
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
68.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 71455818
SID: 163524749
ChEMBL ID
CHEMBL2204788
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: PT03071, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 88 nM
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