General Information of the Compound
Compound ID
CP0565984
Compound Name
4-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
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Formula
C18H15ClN2O5S
Molecular Weight
406.847
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)N1C(=O)CC(CC(=O)c2ccc(Cl)cc2)C1=O
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InChI
InChI=1S/C18H15ClN2O5S/c19-13-3-1-11(2-4-13)16(22)9-12-10-17(23)21(18(12)24)14-5-7-15(8-6-14)27(20,25)26/h1-8,12H,9-10H2,(H2,20,25,26)
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InChIKey
MIOJNFUEFAKODM-UHFFFAOYSA-N
Physicochemical Property
logP
2.1399
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
114.61
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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
CHEMBL4742170
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 = 6290 nM
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