2-(2-Oxo-1,3-dihydroindol-3-yl)acetamide

Details

• Internal ID: e0b498e1-2d98-4635-95fa-e356bf2d2985
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Indolines
• IUPAC Name: 2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
• SMILES (Canonical): C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)N
• SMILES (Isomeric): C1=CC=C2C(=C1)C(C(=O)N2)CC(=O)N
• InChI: InChI=1S/C10H10N2O2/c11-9(13)5-7-6-3-1-2-4-8(6)12-10(7)14/h1-4,7H,5H2,(H2,11,13)(H,12,14)
• InChI Key: YLXMGRTUPUJSOT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀N₂O₂
• Molecular Weight: 190.20 g/mol
• Exact Mass: 190.074227566 g/mol
• Topological Polar Surface Area (TPSA): 72.20 Ų
• XlogP: -0.30

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	97.80%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.96%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	91.83%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.19%	98.95%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	88.37%	83.10%
CHEMBL221	P23219	Cyclooxygenase-1	87.65%	90.17%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	85.93%	94.62%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.00%	97.09%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	83.65%	82.69%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.33%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.50%	94.45%

Plants that contains it

• Isatis tinctoria

Cross-Links

• PubChem: 60156064
• NPASS: NPC470550
• ChEMBL: CHEMBL2063292
• LOTUS: LTS0118512
• wikiData: Q105350369