General Information of the Compound
Compound ID
CP0134074
Compound Name
N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C12H16N4O2S
Molecular Weight
280.353
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C(C)(C)C
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InChI
InChI=1S/C12H16N4O2S/c1-6-8(19-11(13-6)14-7(2)17)9-15-10(16-18-9)12(3,4)5/h1-5H3,(H,13,14,17)
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InChIKey
OMQWTFHLBGEYAP-UHFFFAOYSA-N
Physicochemical Property
logP
2.75742
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
80.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 52919356
SID: 123056450
ChEMBL ID
CHEMBL3092365
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 = 231 nM
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