General Information of the Compound
Compound ID
CP0083690
Compound Name
4,6-dimethyl-2-(thiophene-2-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
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Structure
Formula
C13H10N2O2S2
Molecular Weight
290.369
Canonical SMILES
Cc1cc(C)c2c(n1)sn(C(=O)c1cccs1)c2=O
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InChI
InChI=1S/C13H10N2O2S2/c1-7-6-8(2)14-11-10(7)13(17)15(19-11)12(16)9-4-3-5-18-9/h3-6H,1-2H3
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InChIKey
SRHVPBZHRXZPOR-UHFFFAOYSA-N
Physicochemical Property
logP
2.82484
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
51.96
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 2816786
ChEMBL ID
CHEMBL2087789
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
2
IC50 = 600 nM
   TI
   LI
   LO
   TS