General Information of the Compound
Compound ID
CP0248461
Compound Name
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,3,4,5,6-pentafluorophenyl)benzamide
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Structure
Formula
C17H11Cl2F5N2O4S
Molecular Weight
505.248
Canonical SMILES
Fc1c(F)c(F)c(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)c(F)c1F
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InChI
InChI=1S/C17H11Cl2F5N2O4S/c18-8-6-9(19)10(31(28,29)26-1-3-30-4-2-26)5-7(8)17(27)25-16-14(23)12(21)11(20)13(22)15(16)24/h5-6H,1-4H2,(H,25,27)
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InChIKey
FCQZTEYOJSSLMU-UHFFFAOYSA-N
Physicochemical Property
logP
3.9621
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
75.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 132191142
ChEMBL ID
CHEMBL4103892
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: PT01786, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1034 nM
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