General Information of the Compound
Compound ID
CP0510768
Compound Name
(2Z)-2-ethylidene-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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Structure
Formula
C11H8N2OS
Molecular Weight
216.265
Canonical SMILES
C\C=c1/sc2nc3ccccc3n2c1=O
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InChI
InChI=1S/C11H8N2OS/c1-2-9-10(14)13-8-6-4-3-5-7(8)12-11(13)15-9/h2-6H,1H3/b9-2-
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InChIKey
HDRLRLVORURTBU-MBXJOHMKSA-N
Physicochemical Property
logP
1.4285
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
34.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 127048692
ChEMBL ID
CHEMBL3814425
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: PT01953, Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS