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:	3ib
	Name:	N-[(2E)-2-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxyphenyl)-3-oxopropyl]-N-methylbenzamide
	Description:
	Labels:	Set1
	CAS:
	InChi Code:	InChI=1S/C25H21Cl2NO3/c1-28(25(30)18-6-4-3-5-7-18)16-20(14-19-8-11-21(26)15-23(19)27)24(29)17-9-12-22(31-2)13-10-17/h3-15H,16H2,1-2H3/b20-14+

Properties

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

Value	Source or prediction
4.6198	experimental value
4.5569	Eq1: Activity against NB4 with Set 1 (Training set)

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

Value	Source or prediction
4.4895	experimental value
4.5090	Eq2: Activity against A549 with Set 1 (Training set)

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

Value	Source or prediction
4	experimental value
3.9173	Eq3: Activity against MCF-7 with Set 1 (Training set)