General Information of the Compound
Compound ID
CP0399305
Compound Name
N-[4-chloro-3-(furan-2-yl)phenyl]-2-(4-chlorophenyl)sulfonyl-2-methylpropanamide
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Structure
Formula
C20H17Cl2NO4S
Molecular Weight
438.332
Canonical SMILES
CC(C)(C(=O)Nc1ccc(Cl)c(c1)-c1ccco1)S(=O)(=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C20H17Cl2NO4S/c1-20(2,28(25,26)15-8-5-13(21)6-9-15)19(24)23-14-7-10-17(22)16(12-14)18-4-3-11-27-18/h3-12H,1-2H3,(H,23,24)
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InChIKey
GBYDAJHWAIPJES-UHFFFAOYSA-N
Physicochemical Property
logP
5.4444
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
76.38
Hydrogen Bond Donor Count
1
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: 44569587
ChEMBL ID
CHEMBL511404
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 = 96 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 230 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 = 4 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 5 nM
   TI
   LI
   LO
   TS