N-[(4-methoxy-3-methylsulfinyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

Details

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Internal ID c591cd04-0c1d-4ae6-8f62-25f367fb70c5
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines
IUPAC Name N-[(4-methoxy-3-methylsulfinyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H13N3O3S/c1-19-12-7-10(9-5-3-4-6-14-9)16-11(8-15-17)13(12)20(2)18/h3-8,17H,1-2H3
InChI Key PSADOHLLXYEDFL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H13N3O3S
Molecular Weight 291.33 g/mol
Exact Mass 291.06776246 g/mol
Topological Polar Surface Area (TPSA) 104.00 Ų
XlogP 0.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[(4-methoxy-3-methylsulfinyl-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.91% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.76% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.04% 96.09%
CHEMBL2535 P11166 Glucose transporter 90.77% 98.75%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.33% 96.00%
CHEMBL2581 P07339 Cathepsin D 88.87% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.05% 95.56%
CHEMBL2243 O00519 Anandamide amidohydrolase 86.92% 97.53%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.37% 99.17%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 85.37% 87.67%
CHEMBL4208 P20618 Proteasome component C5 84.43% 90.00%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 81.60% 96.67%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 81.24% 96.47%
CHEMBL3401 O75469 Pregnane X receptor 80.81% 94.73%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162887142
LOTUS LTS0071551
wikiData Q104195336