3-Hydroxy-3-(thiazol-2-yl)indolin-2-one

Details

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Internal ID a1885665-001b-4de8-a987-e858302f9d64
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indolines
IUPAC Name 3-hydroxy-3-(1,3-thiazol-2-yl)-1H-indol-2-one
SMILES (Canonical) C1=CC=C2C(=C1)C(C(=O)N2)(C3=NC=CS3)O
SMILES (Isomeric) C1=CC=C2C(=C1)C(C(=O)N2)(C3=NC=CS3)O
InChI InChI=1S/C11H8N2O2S/c14-9-11(15,10-12-5-6-16-10)7-3-1-2-4-8(7)13-9/h1-6,15H,(H,13,14)
InChI Key BURKMBCVRAOKIE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C11H8N2O2S
Molecular Weight 232.26 g/mol
Exact Mass 232.03064868 g/mol
Topological Polar Surface Area (TPSA) 90.50 Ų
XlogP 0.80

Synonyms

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3-hydroxy-3-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indol-2-one
3-hydroxy-3-(1,3-thiazol-2-yl)-1H-indol-2-one
SCHEMBL24281866
CHEBI:65024
Q27133587

2D Structure

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2D Structure of 3-Hydroxy-3-(thiazol-2-yl)indolin-2-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
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 95.97% 94.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.92% 91.11%
CHEMBL3524 P56524 Histone deacetylase 4 93.17% 92.97%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 92.60% 99.23%
CHEMBL4208 P20618 Proteasome component C5 91.31% 90.00%
CHEMBL1937 Q92769 Histone deacetylase 2 90.77% 94.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.50% 95.56%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.28% 95.50%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 86.56% 94.08%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 86.03% 85.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.88% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.63% 86.33%
CHEMBL2581 P07339 Cathepsin D 83.59% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.81% 85.14%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 81.60% 96.47%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 81.38% 93.03%
CHEMBL2535 P11166 Glucose transporter 80.17% 98.75%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Arabidopsis thaliana

Cross-Links

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PubChem 5297666
LOTUS LTS0250056
wikiData Q27133587