General Information of the Compound
Compound ID
CP0482941
Compound Name
3-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1H-indole-2-sulfonamide
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Structure
Formula
C21H25N3O3S
Molecular Weight
399.516
Canonical SMILES
Cc1c([nH]c2ccccc12)S(=O)(=O)NCCc1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C21H25N3O3S/c1-16-19-4-2-3-5-20(19)23-21(16)28(25,26)22-11-10-17-6-8-18(9-7-17)24-12-14-27-15-13-24/h2-9,22-23H,10-15H2,1H3
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InChIKey
GEXBRQGCNOOVQS-UHFFFAOYSA-N
Physicochemical Property
logP
2.83392
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
74.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 66547078
SID: 152139562
ChEMBL ID
CHEMBL4470433
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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