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By Noboru Motohashi

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0 Compd. W. 0 Compd. W. Length (˚ A) 112 M. Ishihara et al. Quantitative Structure–Cytotoxicity Relationship 113 Fig. 6 (Fig. 11, A-8), slightly higher than the optimal logP values reported for derivatives of prenylalcohol, vitamin K2 [26], gallic acid [27] and coumarin [28] (logP of 2–3). W. 210 Length Table 6 Relationship coefficients between CC50 against the indicated cells and each chemical descriptor of 5-trifluoromethyloxazole derivatives 114 M. Ishihara et al. Quantitative Structure–Cytotoxicity Relationship 115 Fig.

5-Trifluoromethyloxazole Derivatives . . 2 O-Heterocycles . . . . . . . . . . . . . . . . . 3-Formylchromone Derivatives . . . . . . . . . . . . Coumarin and its Derivatives . . . . . . . . . . . . . 115 115 121 4 Vitamin K2 Derivatives . . . . . . . . . . . . . . 125 5 Conclusion . . . . . . . . . . . . . . . . . . 130 References . . . . . . . . . . . . . . . . . . . . 132 . . . . . . . . .

Ishihara et al. Fig. ), logP, EHOMO , ELUMO , η, χ, and ω are listed in Table 1. Using these values, we investigated whether there was any relationship between the CC50 and each of these descriptors (Fig. 3). In HL-60 cells, there was no relationship between CC50 and heat of formation (Fig. 3a), stability of hydration (Fig. 3b), dipole moment (Fig. 3c), ionization potential (Fig. 3d), EHOMO (Fig. 3e), molecular weight (Fig. 3f), or η (that expresses the extent of elicitation) (Fig. 3g). On the other hand, there was correlation between CC50 and electron affinity (Fig.

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