1-methyl-1H-indole-3-carboxamide

Details

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Internal ID 80c260e9-407d-487e-972a-605e114cf530
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indolecarboxylic acids and derivatives > Indolecarboxamides and derivatives
IUPAC Name 1-methylindole-3-carboxamide
SMILES (Canonical) CN1C=C(C2=CC=CC=C21)C(=O)N
SMILES (Isomeric) CN1C=C(C2=CC=CC=C21)C(=O)N
InChI InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)
InChI Key UHQHFXKJFJHBAE-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C10H10N2O
Molecular Weight 174.20 g/mol
Exact Mass 174.079312947 g/mol
Topological Polar Surface Area (TPSA) 48.00 Ų
XlogP 1.10

Synonyms

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118959-44-7
1-methylindole-3-carboxamide
CHEMBL382602
MLS001049055
SCHEMBL2174829
DTXSID00356397
UHQHFXKJFJHBAE-UHFFFAOYSA-N
HMS2271M13
BDBM50427552
MFCD00457668
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-methyl-1H-indole-3-carboxamide

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.45% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.07% 96.09%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 92.33% 100.00%
CHEMBL2581 P07339 Cathepsin D 91.80% 98.95%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.56% 93.65%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.51% 97.25%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.44% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.32% 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 823187
LOTUS LTS0122988
wikiData Q77494718