Dysamide N

Details

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Internal ID fd40c0a4-9a82-479f-8b9b-d015fd712838
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
IUPAC Name (3Z,6S)-3-[(2S)-3,3-dichloro-2-methylpropylidene]-1,4-dimethyl-6-[(2S)-3,3,3-trichloro-2-methylpropyl]piperazine-2,5-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H19Cl5N2O2/c1-7(11(15)16)5-9-12(22)21(4)10(13(23)20(9)3)6-8(2)14(17,18)19/h5,7-8,10-11H,6H2,1-4H3/b9-5-/t7-,8-,10-/m0/s1
InChI Key VNDCRMHOOMVIFT-YQDKCZNOSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C14H19Cl5N2O2
Molecular Weight 424.60 g/mol
Exact Mass 423.985966 g/mol
Topological Polar Surface Area (TPSA) 40.60 Ų
XlogP 4.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Dysamide N

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
CHEMBL2581 P07339 Cathepsin D 97.07% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 96.17% 97.25%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.98% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.28% 96.09%
CHEMBL321 P14780 Matrix metalloproteinase 9 83.77% 92.12%
CHEMBL5103 Q969S8 Histone deacetylase 10 83.11% 90.08%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.24% 89.34%
CHEMBL333 P08253 Matrix metalloproteinase-2 82.08% 96.31%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 80.97% 96.47%
CHEMBL2094135 Q96BI3 Gamma-secretase 80.84% 98.05%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.77% 86.33%

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 10526365
LOTUS LTS0101670
wikiData Q105289525