General Information of the Compound
Compound ID
CP0209586
Compound Name
(2Z)-2-(2-pyridinylmethylidene)-1-thiazolo[3,2-a]benzimidazolone
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Structure
Formula
C15H9N3OS
Molecular Weight
279.324
Canonical SMILES
O=c1n2c(nc3ccccc23)s\c1=C/c1ccccn1
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InChI
InChI=1S/C15H9N3OS/c19-14-13(9-10-5-3-4-8-16-10)20-15-17-11-6-1-2-7-12(11)18(14)15/h1-9H/b13-9-
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InChIKey
WCIVOCKEAKOYBX-LCYFTJDESA-N
Physicochemical Property
logP
1.8519
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
47.26
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 1594526
ChEMBL ID
CHEMBL1978424
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