General Information of the Compound
Compound ID
CP0578891
Compound Name
N-[[3-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C21H17FN2O2S
Molecular Weight
380.444
Canonical SMILES
Fc1ccc(cc1)-c1cccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)c1
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InChI
InChI=1S/C21H17FN2O2S/c22-19-10-8-16(9-11-19)17-6-3-4-15(12-17)14-23-27(25,26)21-13-18-5-1-2-7-20(18)24-21/h1-13,23-24H,14H2
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InChIKey
CAONPWLOFNTLMC-UHFFFAOYSA-N
Physicochemical Property
logP
4.4525
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 66546529
SID: 152139016
ChEMBL ID
CHEMBL4449211
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 = 137 nM
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