CHEBI:112734 - 4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]iminomethyl]benzoic acid

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ChEBI Name 4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]iminomethyl]benzoic acid
ChEBI ID CHEBI:112734
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H23N3O2
Net Charge 0
Average Mass 337.416
Monoisotopic Mass 337.17903
InChI InChI=1S/C20H23N3O2/c1-16-2-4-18(5-3-16)15-22-10-12-23(13-11-22)21-14-17-6-8-19(9-7-17)20(24)25/h2-9,14H,10-13,15H2,1H3,(H,24,25)
InChIKey CXDBXMSOGOSCJY-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)CN2CCN(CC2)N=CC3=CC=C(C=C3)C(=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 4-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]iminomethyl]benzoic acid (CHEBI:112734) is a benzoic acids (CHEBI:22723)
Manual Xref Database
LSM-24144 LINCS
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