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:	5cj
	Name:	(1R)-3-(2,4-dimethoxyphenyl)-2-methylidene-1-(2-nitrophenyl)-3-oxopropyl acetate
	Description:
	Labels:	Set2
	CAS:
	InChi Code:	InChI=1S/C20H19NO7/c1-12(19(23)16-10-9-14(26-3)11-18(16)27-4)20(28-13(2)22)15-7-5-6-8-17(15)21(24)25/h5-11,20H,1H2,2-4H3/t20-/m0/s1

Properties

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

Value	Source or prediction
5.0555	experimental value
5.0688	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	experimental value
4.0766	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
4.1543	experimental value
4.2858	Eq6: Activity against MCF-7 with Set 2 (Training set)