General Information of the Compound
Compound ID
CP0455960
Compound Name
3-chloro-N-methyl-N-(4-phenoxyphenyl)benzenesulfonamide
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Structure
Formula
C19H16ClNO3S
Molecular Weight
373.861
Canonical SMILES
CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1
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InChI
InChI=1S/C19H16ClNO3S/c1-21(25(22,23)19-9-5-6-15(20)14-19)16-10-12-18(13-11-16)24-17-7-3-2-4-8-17/h2-14H,1H3
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InChIKey
YRQYMCZVXJVJAW-UHFFFAOYSA-N
Physicochemical Property
logP
4.9574
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
46.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 134135805
ChEMBL ID
CHEMBL3903419
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 = 650 nM
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