General Information of the Compound
Compound ID
CP0481790
Compound Name
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
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Structure
Formula
C11H11BrN4O2S2
Molecular Weight
375.273
Canonical SMILES
CC(=O)Nc1nc(C)c(s1)-c1csc(NC(=O)CBr)n1
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InChI
InChI=1S/C11H11BrN4O2S2/c1-5-9(20-11(13-5)14-6(2)17)7-4-19-10(15-7)16-8(18)3-12/h4H,3H2,1-2H3,(H,13,14,17)(H,15,16,18)
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InChIKey
VXNBNOYDTNSYQP-UHFFFAOYSA-N
Physicochemical Property
logP
2.86682
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
83.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 155567806
ChEMBL ID
CHEMBL4590346
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: PT01034, Phosphatidylinositol 4-kinase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  3
1
IC50 = 1670 nM
   TI
   LI
   LO
   TS
2
IC50 = 1710 nM
   TI
   LI
   LO
   TS
3
IC50 = 2110 nM
   TI
   LI
   LO
   TS