5-Methylquinoxaline

Details

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Internal ID d30e05c7-7823-4556-ae15-31a80c43d905
Taxonomy Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinoxalines
IUPAC Name 5-methylquinoxaline
SMILES (Canonical) CC1=C2C(=CC=C1)N=CC=N2
SMILES (Isomeric) CC1=C2C(=CC=C1)N=CC=N2
InChI InChI=1S/C9H8N2/c1-7-3-2-4-8-9(7)11-6-5-10-8/h2-6H,1H3
InChI Key CQLOYHZZZCWHSG-UHFFFAOYSA-N
Popularity 27 references in papers

Physical and Chemical Properties

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Molecular Formula C9H8N2
Molecular Weight 144.17 g/mol
Exact Mass 144.068748264 g/mol
Topological Polar Surface Area (TPSA) 25.80 Ų
XlogP 2.00

Synonyms

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13708-12-8
Quinoxaline, 5-methyl-
FEMA No. 3203
5-Methyl-Quinoxaline
MFCD00012335
L0AD7T152G
DTXSID4047090
5-methyl quinoxaline
EINECS 237-246-5
UNII-L0AD7T152G
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 5-Methylquinoxaline

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
CHEMBL3401 O75469 Pregnane X receptor 91.27% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.87% 86.33%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 86.00% 93.65%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 85.44% 96.47%
CHEMBL5014 O43353 Serine/threonine-protein kinase RIPK2 84.34% 86.79%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 82.69% 93.10%
CHEMBL2535 P11166 Glucose transporter 82.42% 98.75%
CHEMBL2581 P07339 Cathepsin D 82.34% 98.95%
CHEMBL3902 P09211 Glutathione S-transferase Pi 81.94% 93.81%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 81.20% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.62% 96.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 80.55% 95.56%

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.
Coffea arabica

Cross-Links

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PubChem 61670
LOTUS LTS0039418
wikiData Q27225666