General Information of the Compound
Compound ID
CP0893926
Compound Name
(Z)-2-((5-(phenylthio)furan-2-yl)methylene)benzo[d]thiazolo[3,2-a]imidazol-3(2H)-one
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Structure
Formula
C20H12N2O2S2
Molecular Weight
376.462
Canonical SMILES
O=c1/c(=C/c2ccc(Sc3ccccc3)o2)sc2nc3ccccc3n12
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InChI
InChI=1S/C20H12N2O2S2/c23-19-17(26-20-21-15-8-4-5-9-16(15)22(19)20)12-13-10-11-18(24-13)25-14-6-2-1-3-7-14/h1-12H/b17-12-
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InChIKey
ZGZXLCMZVGVPKY-ATVHPVEESA-N
Physicochemical Property
logP
4.2011
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
47.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 1365914
ChEMBL ID
CHEMBL3814791
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