General Information of the Compound
Compound ID
CP0361646
Compound Name
Desacetyl-nitazoxanide
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Structure
Formula
C10H7N3O4S
Molecular Weight
265.25
Canonical SMILES
Oc1ccccc1C(=O)Nc1ncc(s1)[N+]([O-])=O
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InChI
InChI=1S/C10H7N3O4S/c14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17/h1-5,14H,(H,11,12,15)
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InChIKey
FDTZUTSGGSRHQF-UHFFFAOYSA-N
Physicochemical Property
logP
2.0092
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
105.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 394397
SID: 14774791
ChEMBL ID
CHEMBL1545
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: PT01503, Signal transducer and activator of transcription 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000495 HEK-Blue IL-6 Homo sapiens (Human)  1
1
IC50 = 8900 nM
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