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:	3ff
	Name:	(2R,4E)-4-(cyclohexylmethylidene)-5-(4-methoxyphenyl)-5-oxopentan-2-yl acetate
	Description:
	Labels:	Set1
	CAS:
	InChi Code:	InChI=1S/C21H28O4/c1-15(25-16(2)22)13-19(14-17-7-5-4-6-8-17)21(23)18-9-11-20(24-3)12-10-18/h9-12,14-15,17H,4-8,13H2,1-3H3/b19-14+/t15-/m1/s1

Properties

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

Value	Source or prediction
4.4763	experimental value
4.1009	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
4.0088	experimental value
3.9512	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
3.8930	Eq3: Activity against MCF-7 with Set 1 (Training set)