General Information of the Compound
Compound ID
CP0252713
Compound Name
N-[4-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C12H14N4O3S
Molecular Weight
294.336
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1nc(no1)C1CCOC1
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InChI
InChI=1S/C12H14N4O3S/c1-6-9(20-12(13-6)14-7(2)17)11-15-10(16-19-11)8-3-4-18-5-8/h8H,3-5H2,1-2H3,(H,13,14,17)
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InChIKey
YCHNEEQFKCPPTR-UHFFFAOYSA-N
Physicochemical Property
logP
1.96382
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
90.14
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 72737554
ChEMBL ID
CHEMBL3092362
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 = 558 nM
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