N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-4-methylpent-2-enamide

Details

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Internal ID 4b91a573-f1d0-486a-aabb-cb19865b8598
Taxonomy Organic nitrogen compounds > Organonitrogen compounds > N-arylamides
IUPAC Name N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-4-methylpent-2-enamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H23N3O4/c1-10(2)4-6-14(21)17-13-8-9-19(16(22)18-13)15-7-5-12(20)11(3)23-15/h4,6,8-12,15,20H,5,7H2,1-3H3,(H,17,18,21,22)
InChI Key WMSKAIGBYYFTAD-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H23N3O4
Molecular Weight 321.37 g/mol
Exact Mass 321.16885622 g/mol
Topological Polar Surface Area (TPSA) 91.20 Ų
XlogP 1.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[1-(5-hydroxy-6-methyloxan-2-yl)-2-oxopyrimidin-4-yl]-4-methylpent-2-enamide

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
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.27% 85.14%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 93.11% 90.71%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.71% 99.23%
CHEMBL2581 P07339 Cathepsin D 91.42% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.63% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.01% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 86.05% 94.73%
CHEMBL4040 P28482 MAP kinase ERK2 85.62% 83.82%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 85.33% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.91% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.31% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.20% 91.11%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.73% 91.07%

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 163088423
LOTUS LTS0211158
wikiData Q104200420