General Information of the Compound
Compound ID
CP0447808
Compound Name
(E)-5-Amino-3-[2,3']bifuranyl-5-ylmethylene-1,3-dihydroindol-2-one
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Structure
Formula
C17H12N2O3
Molecular Weight
292.294
Canonical SMILES
Nc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3ccoc3)c2c1
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InChI
InChI=1S/C17H12N2O3/c18-11-1-3-15-13(7-11)14(17(20)19-15)8-12-2-4-16(22-12)10-5-6-21-9-10/h1-9H,18H2,(H,19,20)/b14-8+
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InChIKey
UPAVZZMOLDJBLO-RIYZIHGNSA-N
Physicochemical Property
logP
3.6145
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
81.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 46233147
ChEMBL ID
CHEMBL597177
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 = 34000 nM
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