General Information of the Compound
Compound ID
CP0538647
Compound Name
6-chloro-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C21H17ClN2O2S
Molecular Weight
396.899
Canonical SMILES
Clc1ccc2cc([nH]c2c1)S(=O)(=O)NCc1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C21H17ClN2O2S/c22-19-11-10-18-12-21(24-20(18)13-19)27(25,26)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,23-24H,14H2
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InChIKey
TWMCMEWFXHYOPA-UHFFFAOYSA-N
Physicochemical Property
logP
4.9668
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: 66546715
SID: 152139199
ChEMBL ID
CHEMBL4571226
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 = 4 nM
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