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:	6bd
	Name:	4-[(1E)-2-[(E)-4-methoxybenzoyl]-5-(4-methoxyphenyl)-4-methylidene-5-oxopent-1-en-1-yl]phenyl benzoate
	Description:
	Labels:	Set2
	CAS:
	InChi Code:	InChI=1S/C34H28O6/c1-23(32(35)25-11-17-29(38-2)18-12-25)21-28(33(36)26-13-19-30(39-3)20-14-26)22-24-9-15-31(16-10-24)40-34(37)27-7-5-4-6-8-27/h4-20,22H,1,21H2,2-3H3/b28-22+

Properties

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

Value	Source or prediction
5.1739	experimental value
5.1811	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
3.9874	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	experimental value
3.9085	Eq6: Activity against MCF-7 with Set 2 (Training set)