General Information of the Compound
Compound ID
CP0477615
Compound Name
3-methoxy-N-[4-(3-methoxyphenoxy)phenyl]benzenesulfonamide
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Structure
Formula
C20H19NO5S
Molecular Weight
385.441
Canonical SMILES
COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)c1
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InChI
InChI=1S/C20H19NO5S/c1-24-17-5-3-7-19(13-17)26-16-11-9-15(10-12-16)21-27(22,23)20-8-4-6-18(14-20)25-2/h3-14,21H,1-2H3
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InChIKey
CMCDAZPKZQXEFZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.2969
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
73.86
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 134138057
ChEMBL ID
CHEMBL3930183
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 370 nM
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