General Information of the Compound
Compound ID
CP0561566
Compound Name
N-[(4-methoxyphenyl)methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C16H16N2O3S
Molecular Weight
316.382
Canonical SMILES
COc1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1
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InChI
InChI=1S/C16H16N2O3S/c1-21-14-8-6-12(7-9-14)11-17-22(19,20)16-10-13-4-2-3-5-15(13)18-16/h2-10,17-18H,11H2,1H3
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InChIKey
TZIAUDXRHGYCJU-UHFFFAOYSA-N
Physicochemical Property
logP
2.655
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 66547076
SID: 152139560
ChEMBL ID
CHEMBL4447542
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 = 200 nM
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