General Information of the Compound
Compound ID
CP0572489
Compound Name
2,4-dichloro-N-(3-fluorophenyl)-N-methyl-5-morpholin-4-ylsulfonylbenzamide
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Structure
Formula
C18H17Cl2FN2O4S
Molecular Weight
447.315
Canonical SMILES
CN(C(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)c1cccc(F)c1
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InChI
InChI=1S/C18H17Cl2FN2O4S/c1-22(13-4-2-3-12(21)9-13)18(24)14-10-17(16(20)11-15(14)19)28(25,26)23-5-7-27-8-6-23/h2-4,9-11H,5-8H2,1H3
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InChIKey
GOAOGMJJIDYVSZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.43
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
66.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 132191132
ChEMBL ID
CHEMBL4093264
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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   TS