General Information of the Compound
Compound ID
CP0538657
Compound Name
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-methyl-1H-indole-2-sulfonamide
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Structure
Formula
C19H23N3O2S
Molecular Weight
357.479
Canonical SMILES
CN(C)c1ccc(CCNS(=O)(=O)c2[nH]c3ccccc3c2C)cc1
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InChI
InChI=1S/C19H23N3O2S/c1-14-17-6-4-5-7-18(17)21-19(14)25(23,24)20-13-12-15-8-10-16(11-9-15)22(2)3/h4-11,20-21H,12-13H2,1-3H3
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InChIKey
MPLPPBTUNWFCRG-UHFFFAOYSA-N
Physicochemical Property
logP
3.06332
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 66547588
SID: 152140086
ChEMBL ID
CHEMBL4543664
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 = 300 nM
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