brepocitinib tosylate (CHEBI:757569)

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CHEBI:757569 - brepocitinib tosylate

Formula	C7H8O3S.C18H21F2N7O
Net Charge	0
Average Mass	561.615
Monoisotopic Mass	561.19698
SMILES	Cc1ccc(S(=O)(=O)O)cc1.[H][C@]12CC[C@]([H])(CN(c3ccnc(Nc4cnn(C)c4)n3)C1)N2C(=O)[C@@H]1CC1(F)F
InChI	InChI=1S/C18H21F2N7O.C7H8O3S/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24);2-5H,1H3,(H,8,9,10)/t12-,13+,14-;/m0./s1
InChIKey	FAKGOYNHHHOTEN-VDTKTRGNSA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	brepocitinib tosylate (CHEBI:757569) is a N-arylpiperazine (CHEBI:46848)