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CHEBI:91469 - 4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(4-pyrrolidin-1-ylpiperidin-1-yl)benzamide

ChEBI IDCHEBI:91469
ChEBI Name4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(4-pyrrolidin-1-ylpiperidin-1-yl)benzamide
Stars
DownloadsMolfile
FormulaC28H30N6OS
Net Charge0
Average Mass498.656
Monoisotopic Mass498.22018
SMILESO=C(NN1CCC(N2CCCC2)CC1)c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1
InChIInChI=1S/C28H30N6OS/c35-27(32-34-17-12-23(13-18-34)33-15-3-4-16-33)20-7-9-22(10-8-20)30-28-29-14-11-24(31-28)26-19-21-5-1-2-6-25(21)36-26/h1-2,5-11,14,19,23H,3-4,12-13,15-18H2,(H,32,35)(H,29,30,31)
InChIKeyNAWSWOOBHGFUTJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-N-(4-pyrrolidin-1-ylpiperidin-1-yl)benzamide (CHEBI:91469) is a benzoic acids (CHEBI:22723)
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