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:	5dh
	Name:	(1R)-3-(4-methoxyphenyl)-2-methylidene-1-(4-nitrophenyl)-3-oxopropyl benzoate
	Description:
	Labels:	Set2
	CAS:
	InChi Code:	InChI=1S/C24H19NO6/c1-16(22(26)17-10-14-21(30-2)15-11-17)23(18-8-12-20(13-9-18)25(28)29)31-24(27)19-6-4-3-5-7-19/h3-15,23H,1H2,2H3/t23-/m0/s1

Properties

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

Value	Source or prediction
4.8794	experimental value
4.8982	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
4.1765	experimental value
4.1919	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
4.251	experimental value
4.1996	Eq6: Activity against MCF-7 with Set 2 (Training set)