General Information of the Compound
Compound ID
CP0224694
Compound Name
N-[4-methyl-5-(2-methylsulfonyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C10H11N3O4S2
Molecular Weight
301.349
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1cnc(o1)S(C)(=O)=O
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InChI
InChI=1S/C10H11N3O4S2/c1-5-8(18-9(12-5)13-6(2)14)7-4-11-10(17-7)19(3,15)16/h4H,1-3H3,(H,12,13,14)
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InChIKey
OFOXQNICEHYXRI-UHFFFAOYSA-N
Physicochemical Property
logP
1.46842
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
102.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 71450452
SID: 163525189
ChEMBL ID
CHEMBL2204778
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 = 222 nM
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