WNH (CHEBI:228402)

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CHEBI:228402 - WNH

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ChEBI ID	CHEBI:228402
ChEBI Name	WNH
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C17H21F3N6O
Net Charge	0
Average Mass	382.390
Monoisotopic Mass	382.17289
SMILES	OC[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1
InChI	InChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1
InChIKey	KXGFTHNEKPQMOG-CYBMUJFWSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	WNH (CHEBI:228402) is a dialkylarylamine (CHEBI:23665)
	WNH (CHEBI:228402) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
[(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(triluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol