General Information of the Compound
Compound ID
CP0371997
Compound Name
(Z)-5-Furan-2-yl-3-(1H-pyrrol-2-ylmethylene)-1,3-dihydroindol-2-one
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Structure
Formula
C17H12N2O2
Molecular Weight
276.295
Canonical SMILES
O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1ccco1
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InChI
InChI=1S/C17H12N2O2/c20-17-14(10-12-3-1-7-18-12)13-9-11(5-6-15(13)19-17)16-4-2-8-21-16/h1-10,18H,(H,19,20)/b14-10-
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InChIKey
VZGYEOFYSNSLBE-UVTDQMKNSA-N
Physicochemical Property
logP
3.7674
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
58.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 46233683
ChEMBL ID
CHEMBL599809
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 = 40000 nM
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