General Information of the Compound
Compound ID
CP0507497
Compound Name
3-(2-oxocyclopentyl)-1-phenylpyrrolidine-2,5-dione
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Structure
Formula
C15H15NO3
Molecular Weight
257.289
Canonical SMILES
O=C1CCCC1C1CC(=O)N(C1=O)c1ccccc1
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InChI
InChI=1S/C15H15NO3/c17-13-8-4-7-11(13)12-9-14(18)16(15(12)19)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2
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InChIKey
XZHNVXDGKIOUAD-UHFFFAOYSA-N
Physicochemical Property
logP
1.9353
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
54.45
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 86050251
ChEMBL ID
CHEMBL4777181
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 = 51350 nM
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