General Information of the Compound
Compound ID
CP0520525
Compound Name
(3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
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Synonyms
(3Z)-5-AMINO-3-[(4-METHOXYPHENYL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
(Z)-5-Amino-3-(4-methoxybenzylidene)indolin-2-one
2x2l
CHEMBL591696
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Structure
Formula
C16H14N2O2
Molecular Weight
266.3
Canonical SMILES
COc1ccc(\C=C2/C(=O)Nc3ccc(N)cc23)cc1
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InChI
InChI=1S/C16H14N2O2/c1-20-12-5-2-10(3-6-12)8-14-13-9-11(17)4-7-15(13)18-16(14)19/h2-9H,17H2,1H3,(H,18,19)/b14-8-
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InChIKey
DYCBCUFDDRQCID-ZSOIEALJSA-N
Physicochemical Property
logP
2.7701
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
64.35
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 46233144
ChEMBL ID
CHEMBL591696
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( (Z)-5-Amino-3-(4-methoxybenzylidene)indolin-2-one )
Drug Name (Z)-5-Amino-3-(4-methoxybenzylidene)indolin-2-one
Target(s)
Proto-oncogene c-Ret (RET)
Inhibitor