acalisib (CHEBI:757655)

CHEBI:757655 - acalisib

Formula	C21H16FN7O
Net Charge	0
Average Mass	401.405
Monoisotopic Mass	401.14004
SMILES	C[C@H](Nc1ncnc2ncnc12)c1nc2ccc(F)cc2c(=O)n1-c1ccccc1
InChI	InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1
InChIKey	DOCINCLJNAXZQF-LBPRGKRZSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	acalisib (CHEBI:757655) has role antineoplastic agent (CHEBI:35610)
	acalisib (CHEBI:757655) is a quinazolines (CHEBI:38530)

INN	Source
acalisib	WHO MedNet

Citations