CHEBI:105009 - 2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid

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ChEBI Name 2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid
ChEBI ID CHEBI:105009
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H22N2O4
Net Charge 0
Average Mass 402.443
Monoisotopic Mass 402.15796
InChI InChI=1S/C24H22N2O4/c1-29-23-14-18(12-13-22(23)30-16-24(27)28)21-15-20(17-8-4-2-5-9-17)25-26(21)19-10-6-3-7-11-19/h2-14,21H,15-16H2,1H3,(H,27,28)
InChIKey BPERWKHCZSFQRP-UHFFFAOYSA-N
SMILES COC1=C(C=CC(=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)O
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 2-[4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-2-methoxyphenoxy]acetic acid (CHEBI:105009) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-16372 LINCS
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