Computational approaches: discovery of GTPase HRas as prospective drug target for 1,3-diazine scaffolds

BMC Chemistry

Table 1 Physicochemical properties of the selected data set (1,3-diazine derivatives)

Comp. no	Molecular formula	Color	R_f value	m.pt. °C	% Yield
s1.	C₄₀H₂₂Cl₆N₆	Dark yellow	0.46	133–135	85.45
s2.	C₄₄H₃₂Cl₄N₆O₄	Light yellow	0.25	113–115	75.56
s3.	C₄₀H₂₂Cl₄N₈O₄	Cream yellow	0.31	140–142	69.03
s4.	C₄₀H₂₄Cl₄N₆O₂	Pure yellow	0.26	133–135	82.56
s5.	C₄₀H₂₂Cl₄N₈O₄	Medallion yellow	0.35	146–148	70.00
s6.	C₄₀H₂₂Cl₄N₈O₄	Light yellow	0.32	142–144	75.65
s7.	C₄₄H₃₄Cl₄N₈	Light yellow	0.39	123–125	78.12
s8.	C₄₂H₂₈Cl₄N₆O₂	Pure yellow	0.23	124–126	80.45
s9.	C₄₀H₂₀Cl₈N₆	Lemon yellow	0.21	80–82	79.34
s10.	C₄₂H₂₈Cl₄N₆O₂	Light yellow	0.58	134–135	82.23
s11.	C₄₂H₂₈Cl₄N₆O₄	Pure yellow	0.41	129–131	89.45
s12.	C₄₀H₂₂Cl₆N₆	Medallion yellow	0.43	56–58	85.56
s13.	C₄₀H₂₄Cl₄N₆O₂	Dark yellow	0.50	79–81	87.23
s15.	C₄₈H₄₂Cl₄N₈	Cream yellow	0.37	75–77	66.33
s15.	C₄₀H₂₂Cl₆N₆	Dark yellow	0.57	56–58	68.12
s16.	C₄₄H₂₈Cl₄N₆	Light yellow	0.50	63–65	62.23

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