CHEBI:105051 - 5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester

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ChEBI Name 5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester ChEBI ID CHEBI:105051 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H29BrN4O3 Net Charge 0 Average Mass 477.395 Monoisotopic Mass 476.14230 InChI InChI=1S/C22H29BrN4O3/c1-30-22(29)21-20(17-13-15(23)7-8-18(17)24-21)25-19(28)14-26-9-11-27(12-10-26)16-5-3-2-4-6-16/h7-8,13,16,24H,2-6,9-12,14H2,1H3,(H,25,28) InChIKey QMKBNQSBQGDFHU-UHFFFAOYSA-N SMILES COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CN3CCN(CC3)C4CCCCC4 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 5-bromo-3-[[2-(4-cyclohexyl-1-piperazinyl)-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester (CHEBI:105051) is a indolyl carboxylic acid (CHEBI:46867) Manual Xref Database LSM-16414 LINCS View more database links