(E)-N-methoxy-1-(4-methoxy-6-pyridin-2-ylpyridin-2-yl)methanimine

Details

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Internal ID ae9410d6-f299-4130-80a2-10ce9317e188
Taxonomy Organoheterocyclic compounds > Pyridines and derivatives > Bipyridines and oligopyridines
IUPAC Name (E)-N-methoxy-1-(4-methoxy-6-pyridin-2-ylpyridin-2-yl)methanimine
SMILES (Canonical) COC1=CC(=NC(=C1)C2=CC=CC=N2)C=NOC
SMILES (Isomeric) COC1=CC(=NC(=C1)C2=CC=CC=N2)/C=N/OC
InChI InChI=1S/C13H13N3O2/c1-17-11-7-10(9-15-18-2)16-13(8-11)12-5-3-4-6-14-12/h3-9H,1-2H3/b15-9+
InChI Key WOCWELSPPBUMDA-OQLLNIDSSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C13H13N3O2
Molecular Weight 243.26 g/mol
Exact Mass 243.100776666 g/mol
Topological Polar Surface Area (TPSA) 56.60 Ų
XlogP 1.80

Synonyms

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SCHEMBL596977
CHEMBL1823041

2D Structure

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2D Structure of (E)-N-methoxy-1-(4-methoxy-6-pyridin-2-ylpyridin-2-yl)methanimine

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
CHEMBL240 Q12809 HERG 98.22% 89.76%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.19% 86.33%
CHEMBL2243 O00519 Anandamide amidohydrolase 93.86% 97.53%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.88% 91.11%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 91.18% 93.10%
CHEMBL230 P35354 Cyclooxygenase-2 89.11% 89.63%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.85% 96.00%
CHEMBL2535 P11166 Glucose transporter 88.72% 98.75%
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 86.14% 88.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.01% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 85.09% 94.73%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 84.69% 100.00%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 84.03% 96.47%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.54% 95.50%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 82.84% 92.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.44% 95.56%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 82.14% 92.86%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 81.59% 87.67%
CHEMBL4208 P20618 Proteasome component C5 81.58% 90.00%
CHEMBL221 P23219 Cyclooxygenase-1 81.40% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.67% 99.17%
CHEMBL1907 P15144 Aminopeptidase N 80.43% 93.31%

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 16128661
LOTUS LTS0206463
wikiData Q105309429