General Information of the Compound
Compound ID
CP0945283
Compound Name
(Z)-2-((5-phenylfuran-2-yl)methylene)benzo[d]thiazolo[3,2-a]imidazol-3(2H)-one
    Show/Hide
Structure
Formula
C20H12N2O2S
Molecular Weight
344.395
Canonical SMILES
O=c1/c(=C/c2ccc(-c3ccccc3)o2)sc2nc3ccccc3n12
    Show/Hide
InChI
InChI=1S/C20H12N2O2S/c23-19-18(25-20-21-15-8-4-5-9-16(15)22(19)20)12-14-10-11-17(24-14)13-6-2-1-3-7-13/h1-12H/b18-12-
    Show/Hide
InChIKey
UQPLCZPLTFIOKZ-PDGQHHTCSA-N
Physicochemical Property
logP
3.7169
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
47.51
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 879845
ChEMBL ID
CHEMBL3814053
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