CHEBI:104935 - 4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide

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ChEBI Name 4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
ChEBI ID CHEBI:104935
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H24N4O2S
Net Charge 0
Average Mass 444.551
Monoisotopic Mass 444.16200
InChI InChI=1S/C25H24N4O2S/c1-16-13-22(17(2)29(16)14-19-7-5-4-6-8-19)23-15-32-25(27-23)28-24(31)20-9-11-21(12-10-20)26-18(3)30/h4-13,15H,14H2,1-3H3,(H,26,30)(H,27,28,31)
InChIKey PIITVCCJJWAOHX-UHFFFAOYSA-N
SMILES CC1=CC(=C(N1CC2=CC=CC=C2)C)C3=CSC(=N3)NC(=O)C4=CC=C(C=C4)NC(=O)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-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide (CHEBI:104935) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-16298 LINCS
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