9-(2,4-Dibromo-5-methoxyphenyl)-8-hydroxy-7-methyl-1,7-diazaspiro[4.4]non-1-en-6-one

Details

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Internal ID 9aceaf4a-0e15-4ba3-b8ae-dbb681062f9a
Taxonomy Organoheterocyclic compounds > Pyrrolidines > Phenylpyrrolidines
IUPAC Name 9-(2,4-dibromo-5-methoxyphenyl)-8-hydroxy-7-methyl-1,7-diazaspiro[4.4]non-1-en-6-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H16Br2N2O3/c1-19-13(20)12(15(14(19)21)4-3-5-18-15)8-6-11(22-2)10(17)7-9(8)16/h5-7,12-13,20H,3-4H2,1-2H3
InChI Key BYQNGGZSSNMKGE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H16Br2N2O3
Molecular Weight 432.11 g/mol
Exact Mass 431.95072 g/mol
Topological Polar Surface Area (TPSA) 62.10 Ų
XlogP 1.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 9-(2,4-Dibromo-5-methoxyphenyl)-8-hydroxy-7-methyl-1,7-diazaspiro[4.4]non-1-en-6-one

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.85% 96.09%
CHEMBL2581 P07339 Cathepsin D 97.32% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 96.03% 93.99%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.74% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.27% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.21% 94.00%
CHEMBL4208 P20618 Proteasome component C5 91.89% 90.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.17% 89.62%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.22% 97.25%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.04% 86.33%
CHEMBL1937 Q92769 Histone deacetylase 2 87.54% 94.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.90% 95.89%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 85.51% 95.53%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.30% 91.11%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.01% 91.07%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.87% 90.71%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 84.49% 85.49%
CHEMBL2535 P11166 Glucose transporter 84.31% 98.75%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.40% 93.40%

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 73836756
LOTUS LTS0076906
wikiData Q104949734