General Information of the Compound
Compound ID
CP0768561
Compound Name
(Z)-2-oxo-3-(Phenyl-phenylamino-methylene)-2,3-dihydro-1Hindole-6-carboxylic Acid Methyl Ester
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Formula
C23H18N2O3
Molecular Weight
370.408
Canonical SMILES
COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H18N2O3/c1-28-23(27)16-12-13-18-19(14-16)25-22(26)20(18)21(15-8-4-2-5-9-15)24-17-10-6-3-7-11-17/h2-14,24H,1H3,(H,25,26)/b21-20-
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InChIKey
ILLAFQLVCWQSQA-MRCUWXFGSA-N
Physicochemical Property
logP
4.4057
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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
SID: 85185355
ChEMBL ID
CHEMBL519213
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: PT00864, Vascular endothelial growth factor receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 8000 nM
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