General Information of the Compound
Compound ID
CP0538652
Compound Name
3-methyl-N-(pyridin-3-ylmethyl)-1H-indole-2-sulfonamide
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Structure
Formula
C15H15N3O2S
Molecular Weight
301.371
Canonical SMILES
Cc1c([nH]c2ccccc12)S(=O)(=O)NCc1cccnc1
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InChI
InChI=1S/C15H15N3O2S/c1-11-13-6-2-3-7-14(13)18-15(11)21(19,20)17-10-12-5-4-8-16-9-12/h2-9,17-18H,10H2,1H3
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InChIKey
MQXSHWCJRVVWNW-UHFFFAOYSA-N
Physicochemical Property
logP
2.34982
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 66547411
SID: 152139909
ChEMBL ID
CHEMBL4541265
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 > 1000 nM
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