lgd-2941 (CHEBI:748952)

We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.

CHEBI:748952 - lgd-2941

Formula	C17H16F6N2O2
Net Charge	0
Average Mass	394.315
Monoisotopic Mass	394.11160
SMILES	[H][C@]1([C@@H](O)C(F)(F)F)CC[C@@H](C)N1c1ccc2nc(=O)cc(C(F)(F)F)c2c1
InChI	InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1
InChIKey	HWLLYFXDDGGHOE-BCSUUIJWSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	lgd-2941 (CHEBI:748952) is a aminoquinoline (CHEBI:36709)

Citations