AD80 (CHEBI:232151)

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CHEBI:232151 - AD80

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ChEBI ID	CHEBI:232151
ChEBI Name	AD80
Stars
Submitter	FlyBase
Downloads	Molfile

Formula	C22H19F4N7O
Net Charge	0
Average Mass	473.434
Monoisotopic Mass	473.15872
SMILES	CC(C)n1nc(-c2ccc(N/C(O)=N/c3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnc21
InChI	InChI=1S/C22H19F4N7O/c1-11(2)33-20-17(19(27)28-10-29-20)18(32-33)12-3-6-14(7-4-12)30-21(34)31-16-9-13(22(24,25)26)5-8-15(16)23/h3-11H,1-2H3,(H2,27,28,29)(H2,30,31,34)
InChIKey	CYORWDWRQMVGHN-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	AD80 (CHEBI:232151) is a organic molecular entity (CHEBI:50860)

IUPAC Name
1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea

Registry Numbers	Sources
CAS:1384071-99-1	SUBMITTER