General Information of the Compound
Compound ID
CP0538660
Compound Name
N-[1-[4-(4-fluorophenyl)phenyl]ethyl]-1H-indole-2-sulfonamide
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Structure
Formula
C22H19FN2O2S
Molecular Weight
394.471
Canonical SMILES
CC(NS(=O)(=O)c1cc2ccccc2[nH]1)c1ccc(cc1)-c1ccc(F)cc1
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InChI
InChI=1S/C22H19FN2O2S/c1-15(16-6-8-17(9-7-16)18-10-12-20(23)13-11-18)25-28(26,27)22-14-19-4-2-3-5-21(19)24-22/h2-15,24-25H,1H3
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InChIKey
WDWXTZDFJIWOGY-UHFFFAOYSA-N
Physicochemical Property
logP
5.0135
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 66546897
SID: 152139380
ChEMBL ID
CHEMBL4518284
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 41 nM
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