General Information of the Compound
Compound ID
CP0303704
Compound Name
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
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Structure
Formula
C16H11Cl2NO3S
Molecular Weight
368.241
Canonical SMILES
Oc1c(Cl)cc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl
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InChI
InChI=1S/C16H11Cl2NO3S/c17-14-8-12(9-15(18)16(14)20)19-23(21,22)13-6-5-10-3-1-2-4-11(10)7-13/h1-9,19-20H
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InChIKey
OEXMVPQZPJUYJS-UHFFFAOYSA-N
Physicochemical Property
logP
4.653
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
66.4
Hydrogen Bond Donor Count
2
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: 1137620
ChEMBL ID
CHEMBL3356478
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: PT02347, Tumor necrosis factor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 > 100000 nM
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