General Information of the Compound
Compound ID
CP0424502
Compound Name
N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide
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Structure
Formula
C19H14ClNO3S
Molecular Weight
371.845
Canonical SMILES
Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)c1ccccc1
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InChI
InChI=1S/C19H14ClNO3S/c20-16-7-4-8-18(13-16)25(23,24)21-17-11-9-15(10-12-17)19(22)14-5-2-1-3-6-14/h1-13,21H
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InChIKey
WMSHUJRFPYYDRH-UHFFFAOYSA-N
Physicochemical Property
logP
4.3718
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
63.24
Hydrogen Bond Donor Count
1
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: 134133105
ChEMBL ID
CHEMBL3911549
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 = 6000 nM
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