General Information of the Compound
Compound ID
CP0382412
Compound Name
N-(2,6-dichlorophenyl)-4-hydroxy-3-methyl-N-propylbenzenesulfonamide
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Structure
Formula
C16H17Cl2NO3S
Molecular Weight
374.289
Canonical SMILES
CCCN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1
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InChI
InChI=1S/C16H17Cl2NO3S/c1-3-9-19(16-13(17)5-4-6-14(16)18)23(21,22)12-7-8-15(20)11(2)10-12/h4-8,10,20H,3,9H2,1-2H3
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InChIKey
XMWAWXNSWHETBI-UHFFFAOYSA-N
Physicochemical Property
logP
4.61272
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
57.61
Hydrogen Bond Donor Count
1
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: 44407584
ChEMBL ID
CHEMBL202607
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: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000622 HAECT-1 Homo sapiens (Human)  2
1
EC50 = 378 nM
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   LI
   LO
   TS
2
IC50 = 16 nM
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   LI
   LO
   TS