General Information of the Compound
Compound ID
CP0537565
Compound Name
5-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-1H-indole-2-sulfonamide
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Structure
Formula
C20H24ClN3O2S
Molecular Weight
405.951
Canonical SMILES
CCc1c([nH]c2ccc(Cl)cc12)S(=O)(=O)NCCc1ccc(cc1)N(C)C
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InChI
InChI=1S/C20H24ClN3O2S/c1-4-17-18-13-15(21)7-10-19(18)23-20(17)27(25,26)22-12-11-14-5-8-16(9-6-14)24(2)3/h5-10,13,22-23H,4,11-12H2,1-3H3
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InChIKey
UNTZMDWGKLHYQA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9707
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 66547240
SID: 152139733
ChEMBL ID
CHEMBL4437545
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 = 130 nM
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