CHEBI:109727 - 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester

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ChEBI Name 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester
ChEBI ID CHEBI:109727
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H24N4O5
Net Charge 0
Average Mass 424.451
Monoisotopic Mass 424.17467
InChI InChI=1S/C22H24N4O5/c1-14-5-6-15-16(12-14)23-20(22(29)30-2)19(15)24-18(27)13-25-7-9-26(10-8-25)21(28)17-4-3-11-31-17/h3-6,11-12,23H,7-10,13H2,1-2H3,(H,24,27)
InChIKey TVUZUPRVECIGSD-UHFFFAOYSA-N
SMILES CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C(=O)C4=CC=CO4
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 3-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester (CHEBI:109727) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-21155 LINCS
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