General Information of the Compound
Compound ID
CP0513116
Compound Name
N-[3-(2-methoxyphenyl)-1H-indol-7-yl]methanesulfonamide
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Structure
Formula
C16H16N2O3S
Molecular Weight
316.382
Canonical SMILES
COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
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InChI
InChI=1S/C16H16N2O3S/c1-21-15-9-4-3-6-11(15)13-10-17-16-12(13)7-5-8-14(16)18-22(2,19)20/h3-10,17-18H,1-2H3
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InChIKey
UTPNUAIWPWLJEC-UHFFFAOYSA-N
Physicochemical Property
logP
3.215
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
71.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 122186748
ChEMBL ID
CHEMBL3605933
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 401 nM
   TI
   LI
   LO
   TS
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 235 nM
   TI
   LI
   LO
   TS
2
Ki = 3.06 nM
   TI
   LI
   LO
   TS
Protein ID: PT00870, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000298 H4-II-E Rattus norvegicus (Rat)  1
1
IC50 = 1180 nM
   TI
   LI
   LO
   TS
Protein ID: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 27.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 86 nM
   TI
   LI
   LO
   TS