General Information of the Compound
Compound ID
CP0537844
Compound Name
3-(4-oxooxan-3-yl)-1-phenylpyrrolidine-2,5-dione
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Formula
C15H15NO4
Molecular Weight
273.288
Canonical SMILES
O=C1CC(C2COCCC2=O)C(=O)N1c1ccccc1
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InChI
InChI=1S/C15H15NO4/c17-13-6-7-20-9-12(13)11-8-14(18)16(15(11)19)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
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InChIKey
HTUNDUQXODSRNH-UHFFFAOYSA-N
Physicochemical Property
logP
1.1717
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
63.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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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ChEMBL ID
CHEMBL4776872
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: PT02932, Cytochrome c oxidase subunit 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 56580 nM
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