(5S)-5-methoxy-5-(4-methoxyphenyl)-3-methylimidazolidine-2,4-dione

Details

• Internal ID: b3a3bd40-6be2-46bb-97eb-5ae76cda5dcf
• Taxonomy: Organoheterocyclic compounds > Azolidines > Imidazolidines > Hydantoins > Phenylhydantoins
• IUPAC Name: (5S)-5-methoxy-5-(4-methoxyphenyl)-3-methylimidazolidine-2,4-dione
• SMILES (Canonical): CN1C(=O)C(NC1=O)(C2=CC=C(C=C2)OC)OC
• SMILES (Isomeric): CN1C(=O)[C@](NC1=O)(C2=CC=C(C=C2)OC)OC
• InChI: InChI=1S/C12H14N2O4/c1-14-10(15)12(18-3,13-11(14)16)8-4-6-9(17-2)7-5-8/h4-7H,1-3H3,(H,13,16)/t12-/m0/s1
• InChI Key: MDPUNMGRMZRRAD-LBPRGKRZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₄N₂O₄
• Molecular Weight: 250.25 g/mol
• Exact Mass: 250.09535693 g/mol
• Topological Polar Surface Area (TPSA): 67.90 Ų
• XlogP: 0.60

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
CHEMBL2581	P07339	Cathepsin D	96.22%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	95.79%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.77%	96.09%
CHEMBL3192	Q9BY41	Histone deacetylase 8	95.56%	93.99%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	91.04%	93.40%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.35%	94.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.85%	94.45%
CHEMBL4208	P20618	Proteasome component C5	87.68%	90.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.42%	91.11%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	82.22%	95.53%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 162850269
• LOTUS: LTS0152951
• wikiData: Q105161892