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:	6dc
	Name:	(4E)-1,5-bis(4-methoxyphenyl)-2-methylidene-4-[(4-methylphenyl)methylidene]pentane-1,5-dione
	Description:
	Labels:	Set2
	CAS:
	InChi Code:	InChI=1S/C28H26O4/c1-19-5-7-21(8-6-19)18-24(28(30)23-11-15-26(32-4)16-12-23)17-20(2)27(29)22-9-13-25(31-3)14-10-22/h5-16,18H,2,17H2,1,3-4H3/b24-18+

Properties

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

Value	Source or prediction
4.9431	experimental value
4.9744	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
4.3585	experimental value
4.4046	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
4.5702	experimental value
4.4782	Eq6: Activity against MCF-7 with Set 2 (Training set)