Karpavičienė, I.; Valiulienė, G.; Raškevičius, V.; Lebedytė, I.; Brukštus, A.; Kairys, V.; Navakauskienė, R.; Čikotienė, I. Synthesis and antiproliferative activity of α-branched α,β-unsaturated ketones in human hematological and solid cancer cell lines. Eur. J. Med. Chem. 2015, 98, 30–48.

Compound

	ID:	6ac
	Name:	(4E)-2-methylidene-4-[(4-methylphenyl)methylidene]-1,5-diphenylpentane-1,5-dione
	Description:
	Labels:	Set2
	CAS:
	InChi Code:	InChI=1S/C26H22O2/c1-19-13-15-21(16-14-19)18-24(26(28)23-11-7-4-8-12-23)17-20(2)25(27)22-9-5-3-6-10-22/h3-16,18H,2,17H2,1H3/b24-18+

Properties

NB4_pIC50: pIC50 data against the NB4 cell line [log(1/umol)]

Value	Source or prediction
5.1192	experimental value
5.1442	Eq4: Activity against NB4 with Set 2 (Training set)

A549_pIC50: pIC50 data against the A549 cell line [log(1/umol)]

Value	Source or prediction
4.6799	experimental value
4.7752	Eq5: Activity against A549 with Set 2 (Training set)

MCF7_pIC50: pIC50 data against the MCF7 cell line [log(1/umol)]

Value	Source or prediction
4.7986	experimental value
4.7560	Eq6: Activity against MCF-7 with Set 2 (Training set)