General Information of the Compound
Compound ID
CP0316180
Compound Name
N-[5-[2-(dimethylamino)-1,3-oxazol-5-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C11H14N4O2S
Molecular Weight
266.326
Canonical SMILES
CN(C)c1ncc(o1)-c1sc(NC(C)=O)nc1C
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InChI
InChI=1S/C11H14N4O2S/c1-6-9(18-10(13-6)14-7(2)16)8-5-12-11(17-8)15(3)4/h5H,1-4H3,(H,13,14,16)
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InChIKey
GOHGYLRSXDWDRL-UHFFFAOYSA-N
Physicochemical Property
logP
2.13092
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
71.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 71450454
SID: 163525185
ChEMBL ID
CHEMBL2204792
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 = 1222 nM
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