General Information of the Compound
Compound ID
CP0134073
Compound Name
N-[5-[3-(3-hydroxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C13H18N4O3S
Molecular Weight
310.379
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1nc(CC(C)(C)CO)no1
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InChI
InChI=1S/C13H18N4O3S/c1-7-10(21-12(14-7)15-8(2)19)11-16-9(17-20-11)5-13(3,4)6-18/h18H,5-6H2,1-4H3,(H,14,15,19)
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InChIKey
HSOGBFZSVJIAOW-UHFFFAOYSA-N
Physicochemical Property
logP
2.02092
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
101.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
21

"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: 72737381
ChEMBL ID
CHEMBL3092373
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 = 191 nM
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