General Information of the Compound
Compound ID
CP0398615
Compound Name
N-(3-bromo-4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
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Structure
Formula
C16H14BrCl2NO3S
Molecular Weight
451.169
Canonical SMILES
CC(C)(C(=O)Nc1ccc(Cl)c(Br)c1)S(=O)(=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C16H14BrCl2NO3S/c1-16(2,24(22,23)12-6-3-10(18)4-7-12)15(21)20-11-5-8-14(19)13(17)9-11/h3-9H,1-2H3,(H,20,21)
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InChIKey
WNBYYNNSUGNUKC-UHFFFAOYSA-N
Physicochemical Property
logP
4.9469
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
63.24
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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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PubChem ID
CID: 44569553
ChEMBL ID
CHEMBL506707
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 86 nM
   TI
   LI
   LO
   TS