General Information of the Compound
Compound ID
CP0466197
Compound Name
4-[2,5-dioxo-3-(2-oxocyclohexyl)pyrrolidin-1-yl]benzenesulfonamide
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Formula
C16H18N2O5S
Molecular Weight
350.396
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)N1C(=O)CC(C2CCCCC2=O)C1=O
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InChI
InChI=1S/C16H18N2O5S/c17-24(22,23)11-7-5-10(6-8-11)18-15(20)9-13(16(18)21)12-3-1-2-4-14(12)19/h5-8,12-13H,1-4,9H2,(H2,17,22,23)
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InChIKey
KYKULIADGHPMDB-UHFFFAOYSA-N
Physicochemical Property
logP
0.9728
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
114.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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
CHEMBL4757410
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 = 21260 nM
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