General Information of the Compound
Compound ID
CP0005026
Compound Name
3-[4-(1-formylpiperazin-4-yl)benzylidenyl]-2-indolinone
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Synonyms
(Z)-4-(4-((2-Oxoindolin-3-ylidene)methyl)phenyl)piperazine-1-carbaldehyde
186610-89-9
3[4-(1-Formylpiperazin-4-yl)benzylidenyl]-2-indolinone
4-[4-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]phenyl]piperazine-1-carbaldehyde
AC1NZT45
BDBM50065306
CHEMBL315546
SCHEMBL141892
SU-4984
SU4984
ZINC12832813
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Structure
Formula
C20H19N3O2
Molecular Weight
333.391
Canonical SMILES
O=CN1CCN(CC1)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
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InChI
InChI=1S/C20H19N3O2/c24-14-22-9-11-23(12-10-22)16-7-5-15(6-8-16)13-18-17-3-1-2-4-19(17)21-20(18)25/h1-8,13-14H,9-12H2,(H,21,25)/b18-13-
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InChIKey
ZNFJBJDODKHWED-AQTBWJFISA-N
Physicochemical Property
logP
2.4577
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 5941540
SID: 14924449
ChEMBL ID
CHEMBL315546
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 = 1100 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SU4984 )
Drug Name SU4984