General Information of the Compound
Compound ID
CP0410981
Compound Name
N-[3-(3-fluoro-4-methoxyphenyl)-1H-indol-7-yl]methanesulfonamide
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Structure
Formula
C16H15FN2O3S
Molecular Weight
334.372
Canonical SMILES
COc1ccc(cc1F)-c1c[nH]c2c(NS(C)(=O)=O)cccc12
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InChI
InChI=1S/C16H15FN2O3S/c1-22-15-7-6-10(8-13(15)17)12-9-18-16-11(12)4-3-5-14(16)19-23(2,20)21/h3-9,18-19H,1-2H3
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InChIKey
OKTNWHAYYQGWET-UHFFFAOYSA-N
Physicochemical Property
logP
3.3541
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 122186746
ChEMBL ID
CHEMBL3605931
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 1410 nM
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