General Information of the Compound
Compound ID
CP0538648
Compound Name
N-[[4-(4-methoxyphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C22H20N2O3S
Molecular Weight
392.48
Canonical SMILES
COc1ccc(cc1)-c1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1
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InChI
InChI=1S/C22H20N2O3S/c1-27-20-12-10-18(11-13-20)17-8-6-16(7-9-17)15-23-28(25,26)22-14-19-4-2-3-5-21(19)24-22/h2-14,23-24H,15H2,1H3
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InChIKey
BOGMYGBNBFCFBV-UHFFFAOYSA-N
Physicochemical Property
logP
4.322
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 66547072
SID: 152139556
ChEMBL ID
CHEMBL4580709
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 = 2 nM
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