General Information of the Compound
Compound ID
CP0953425
Compound Name
2-(2-Bromo-phenylimino)-5-(quinolin-6-ylmethylene)-thiazolidin-4-one
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Structure
Formula
C19H12BrN3OS
Molecular Weight
410.296
Canonical SMILES
O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc2ncccc2c1
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InChI
InChI=1S/C19H12BrN3OS/c20-14-5-1-2-6-16(14)22-19-23-18(24)17(25-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b17-11-
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InChIKey
GDRMNTFZVIQOBU-BOPFTXTBSA-N
Physicochemical Property
logP
4.8889
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
54.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

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PubChem ID
CID: 136059521
ChEMBL ID
CHEMBL3728543
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: PT01114, Dual specificity tyrosine-phosphorylation-regulated kinase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1 nM
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