CHEBI:119765 - (4-bromo-2,5-dimethyl-3-pyrazolyl)-(2,3-dihydroindol-1-yl)methanone

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ChEBI Name (4-bromo-2,5-dimethyl-3-pyrazolyl)-(2,3-dihydroindol-1-yl)methanone
ChEBI ID CHEBI:119765
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H14BrN3O
Net Charge 0
Average Mass 320.185
Monoisotopic Mass 319.03202
InChI InChI=1S/C14H14BrN3O/c1-9-12(15)13(17(2)16-9)14(19)18-8-7-10-5-3-4-6-11(10)18/h3-6H,7-8H2,1-2H3
InChIKey SDCXDURISJTESF-UHFFFAOYSA-N
SMILES CC1=NN(C(=C1Br)C(=O)N2CCC3=CC=CC=C32)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (4-bromo-2,5-dimethyl-3-pyrazolyl)-(2,3-dihydroindol-1-yl)methanone (CHEBI:119765) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-31209 LINCS
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