General Information of the Compound
Compound ID
CP0555512
Compound Name
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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Structure
Formula
C15H10N2O2S
Molecular Weight
282.324
Canonical SMILES
Cc1ccc(\C=c2/sc3nc4ccccc4n3c2=O)o1
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InChI
InChI=1S/C15H10N2O2S/c1-9-6-7-10(19-9)8-13-14(18)17-12-5-3-2-4-11(12)16-15(17)20-13/h2-8H,1H3/b13-8-
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InChIKey
WAUBSKZUFWHLFY-JYRVWZFOSA-N
Physicochemical Property
logP
2.35832
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
47.51
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: 916059
ChEMBL ID
CHEMBL3814889
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 = 2110 nM
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