General Information of the Compound
Compound ID
CP0574930
Compound Name
N-[(4-pyridin-3-ylphenyl)methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C20H17N3O2S
Molecular Weight
363.442
Canonical SMILES
O=S(=O)(NCc1ccc(cc1)-c1cccnc1)c1cc2ccccc2[nH]1
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InChI
InChI=1S/C20H17N3O2S/c24-26(25,20-12-17-4-1-2-6-19(17)23-20)22-13-15-7-9-16(10-8-15)18-5-3-11-21-14-18/h1-12,14,22-23H,13H2
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InChIKey
UWALDXIKYJKLLB-UHFFFAOYSA-N
Physicochemical Property
logP
3.7084
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 66546899
SID: 152139382
ChEMBL ID
CHEMBL4521762
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 = 7 nM
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