General Information of the Compound
Compound ID
CP0198039
Compound Name
(Z)-4-methyl-3-(4-morpholinobenzylidene)indolin-2-one
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Structure
Formula
C20H20N2O2
Molecular Weight
320.392
Canonical SMILES
Cc1cccc2NC(=O)\C(=C/c3ccc(cc3)N3CCOCC3)c12
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InChI
InChI=1S/C20H20N2O2/c1-14-3-2-4-18-19(14)17(20(23)21-18)13-15-5-7-16(8-6-15)22-9-11-24-12-10-22/h2-8,13H,9-12H2,1H3,(H,21,23)/b17-13-
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InChIKey
KBPBXFBACWNRGQ-LGMDPLHJSA-N
Physicochemical Property
logP
3.32432
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 10663503
SID: 15696034
ChEMBL ID
CHEMBL90277
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 = 100000 nM
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