General Information of the Compound
Compound ID
CP0260285
Compound Name
N-(2,4-dichloro-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzenesulfonamide
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Structure
Formula
C16H15Cl2FN2O5S2
Molecular Weight
469.343
Canonical SMILES
Fc1cccc(c1)S(=O)(=O)Nc1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1
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InChI
InChI=1S/C16H15Cl2FN2O5S2/c17-13-9-14(18)16(28(24,25)21-4-6-26-7-5-21)10-15(13)20-27(22,23)12-3-1-2-11(19)8-12/h1-3,8-10,20H,4-7H2
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InChIKey
BTEABDJFOUPBAQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9542
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
92.78
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 132204178
ChEMBL ID
CHEMBL4072723
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 > 1000 nM
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