Research Article
QSAR Study of Anthra[1,9-cd]pyrazol-6(2H)-one Derivatives as Potential Anticancer Agents Using Statistical Methods
Table 6
The proposed novel compounds.
| | Comp. | R1 | R2 | | MW | MV | Density | PIC50 RLM | PIC50 RNLM | PIC50 PLS |
| X1 | H | H | | 237.26 | 147.4 | 1.6 | 1.52 | 1.44 | 1.58 | X2 | OH | H | | 253.26 | 152.6 | 1.65 | 1.48 | 1.3 | 1.51 | X3 | COOH | H | | 281.27 | 166 | 1.69 | 1.36 | 1.14 | 1.38 | X4 | CN | H | | 262.27 | 168.2 | 1.55 | 0.85 | 1.17 | 0.93 | X5 | CH2OH | H | | 267.28 | 168.7 | 1.58 | 1.42 | 1.23 | 1.49 | X6 | CH2Cl | H | | 285.73 | 180.7 | 1.58 | 1 | 1.05 | 1.05 | X7 | CCl3 | H | | 354.62 | 204.7 | 1.73 | 0.71 | 1.26 | 0.75 | X8 | H | CH2CH2OH | | 281.31 | 182.9 | 1.53 | 1.38 | 1.23 | 1.47 | X9 | OH | CH2CH2OH | | 297.31 | 188.1 | 1.57 | 1.29 | 1.06 | 1.35 | X10 | COOH | CH2CH2OH | | 325.32 | 201.5 | 1.61 | 1.25 | 1.04 | 1.29 | X11 | CN | CH2CH2OH | | 306.32 | 203.7 | 1.5 | 1.2 | 1.01 | 1.19 | X12 | CH2OH | CH2CH2OH | | 311.34 | 204.2 | 1.52 | 1.33 | 1.19 | 1.39 | X13 | CH2Cl | CH2CH2OH | | 329.78 | 216.2 | 1.52 | 0.93 | 0.94 | 0.99 | X14 | CCl3 | CH2CH2OH | | 398.67 | 240.2 | 1.65 | 0.53 | 1.23 | 0.59 | X15 | (C6H10)2 | CH2CH2OH | | 445.6 | 332.6 | 1.33 | 1.52 | 1.91 | 1.42 |
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