General Information of the Compound
Compound ID
CP0252714
Compound Name
N-[5-[3-(3-hydroxy-2,2-dimethylbutyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C14H20N4O3S
Molecular Weight
324.406
Canonical SMILES
CC(O)C(C)(C)Cc1noc(n1)-c1sc(NC(C)=O)nc1C
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InChI
InChI=1S/C14H20N4O3S/c1-7-11(22-13(15-7)16-9(3)20)12-17-10(18-21-12)6-14(4,5)8(2)19/h8,19H,6H2,1-5H3,(H,15,16,20)
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InChIKey
GLQCVWRAOZDVOA-UHFFFAOYSA-N
Physicochemical Property
logP
2.40942
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
101.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 72737551
ChEMBL ID
CHEMBL3092375
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 = 155 nM
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