General Information of the Compound
Compound ID
CP0035299
Compound Name
(E)-3-(4-hydroxybenzylidene)indolin-2-one
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Synonyms
(E)-3-(4-hydroxybenzylidene)indolin-2-one
3-(4-Hydroxybenzylidenyl)indolin-2-one
3-(4-hydroxybenzylidene)indolin-2-one
AB00756566-01
ACM293302144
AKOS001309473
BDBM50131995
CHEMBL103307
NCGC00343741-01
SCHEMBL16442341
ZINC12568108
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Structure
Formula
C15H11NO2
Molecular Weight
237.258
Canonical SMILES
Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
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InChI
InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
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InChIKey
PLAOAGFXNCEZMZ-UKTHLTGXSA-N
Physicochemical Property
logP
2.8849
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 10561847
SID: 15589326
ChEMBL ID
CHEMBL103307
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: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 2300 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (E)-3-(4-hydroxybenzylidene)indolin-2-one )
Drug Name (E)-3-(4-hydroxybenzylidene)indolin-2-one
Target(s)
Proto-oncogene c-Ret (RET)
 Target Info 
Inhibitor