General Information of the Compound
Compound ID
CP0416819
Compound Name
(E)-2-(2-chlorophenyl)-N-(3-methoxyphenyl)ethenesulfonamide
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Structure
Formula
C15H14ClNO3S
Molecular Weight
323.801
Canonical SMILES
COc1cccc(NS(=O)(=O)\C=C\c2ccccc2Cl)c1
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InChI
InChI=1S/C15H14ClNO3S/c1-20-14-7-4-6-13(11-14)17-21(18,19)10-9-12-5-2-3-8-15(12)16/h2-11,17H,1H3/b10-9+
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InChIKey
WDMVUPYDXVIMEB-MDZDMXLPSA-N
Physicochemical Property
logP
3.7612
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
55.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 155552871
ChEMBL ID
CHEMBL4545539
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: PT04367, Nuclear factor erythroid 2-related factor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 10000 nM
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