General Information of the Compound
Compound ID
CP0116130
Compound Name
N-[4-methyl-5-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]acetamide
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Structure
Formula
C12H15N3OS2
Molecular Weight
281.406
Canonical SMILES
CC(C)c1nc(cs1)-c1sc(NC(C)=O)nc1C
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InChI
InChI=1S/C12H15N3OS2/c1-6(2)11-15-9(5-17-11)10-7(3)13-12(18-10)14-8(4)16/h5-6H,1-4H3,(H,13,14,16)
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InChIKey
ODHTUULNNXMEFK-UHFFFAOYSA-N
Physicochemical Property
logP
3.65682
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 86647783
ChEMBL ID
CHEMBL3608321
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: PT06232, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000019 Rat1 Rattus norvegicus (Rat)  1
1
IC50 = 950 nM
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