|
| No. | Name | pIC50 | ANN | MLR | ANN (LOO) | MLR (LOO) |
|
| 1 | 6-Propoxy-9H-purin-2-amine | 4.17 | 4.22 | 4.0983 | 4.2054 | 4.4244 |
| 2 | 6-Butoxy-9H-purin-2-amine | 4.32 | 4.26 | 4.3 | 4.3073 | 4.3991 |
| 3 | 6-Pentyloxy-9H-purin-2-amine | 4.31 | 4.31 | 4.27 | 4.4568 | 4.3289 |
| 4 | 6-Isopropoxy-9H-purin-2-amine | 4.12 | 4.25 | 4.5953 | 4.3075 | 4.0767 |
| 5 | 6-Sec-butoxy-9H-purin-2-amine | 4.6 | 4.38 | 4.31 | 4.4773 | 4.4061 |
| 6 | 6-Isobutoxy-9H-purin-2-amine | 4.38 | 4.54 | 4.1 | 4.6696 | 4.6664 |
| 7 | 6-(2-Methylbutoxy)-9H-purin-2-amin | 4.82 | 4.69 | 4.93 | 4.7491 | 4.7295 |
| 8 | 6-(Isopenthyloxy)-9H-purin-2-amin | 4.59 | 4.49 | 4.505 | 4.5325 | 4.4889 |
| 9 | 6-(Hex-5-enyloxy)-9H-purin-2-amine | 4.33 | 4.28 | 4.4022 | 4.964 | 4.4241 |
| 10 | 6-((E)-Hex-3-enyloxy)-9H-purin-2-amin | 4.16 | 4.09 | 4.4578 | 4.0104 | 4.0491 |
| 11 | 6-(Allyloxy)-9H-purin-2-amine | 4.11 | 4.22 | 4.1781 | 4.3261 | 3.7617 |
| 12 | 6-(2-Methylallyloxy)-9H-purin-2-amin | 4.46 | 4.43 | 4.33 | 4.4437 | 4.4786 |
| 13 | 6-(2-Methylenebutoxy)-9H-purin-2-amin | 4.68 | 4.56 | 3.5157 | 4.842 | 4.8973 |
| 14 | 6-(3-Methyl-2-ethylenebutoxy)-9H-purin-amin | 4.8 | 4.86 | 4.67 | 5.0957 | 4.8305 |
| 15 | 6-(Cyclopentyl methoxy)-9H-purin-2-amin | 4.68 | 4.69 | 5.0611 | 4.9247 | 4.7728 |
| 16 | 6-(Cyclopentenyl methoxy)-9H-purin-2-amin | 4.51 | 4.65 | 4.42 | 4.7164 | 4.6733 |
| 17 | 6-(Cyclohexelymethoxy)-9H-purin-2-amin | 4.66 | 4.49 | 4.6965 | 4.4498 | 4.4222 |
| 18 | 6-((Cyclohex-3-enyl)methoxy)-9H-purin-2-amin | 4.8 | 4.71 | 5.0266 | 4.773 | 4.8678 |
| 19 | 6-(2-Cyclohexylethoxy)-9H-purin-2-amin | 4.36 | 4.55 | 4.48 | 4.4313 | 4.482 |
| 20 | 6-(Benzyloxy)-9H-purin-2-amine | 4.46 | 4.5 | 4.5365 | 4.512 | 4.4843 |
| 21 | 6-(Phenethyloxy)-9H-purin-2-amine | 4.19 | 4.13 | 4.28 | 4.2465 | 4.1987 |
| 22 | 6-(2,2-Diethoxypropoxy)-9H-purin-2-amin | 4.7 | 4.64 | 4.1429 | 5.0631 | 4.7004 |
| 23 | 6-((2-Isopropyl-1,3-dioxolan-2-yl)methoxy)-9H-purin-2-amine | 4.19 | 4.26 | 4.04 | 4.5904 | 4.259 |
| 24 | 6-(Cyclohexylmethoxy)9H-purin-2-amin | 4.77 | 4.92 | 4.7561 | 4.4964 | 4.5035 |
| 25 | 6-(Cyclohexylmethoxy)-N-phenyl-9H- purin-2-amin | 6.01 | 6.19 | 5.826 | 6.0775 | 5.9886 |
| 26 | 6-(Cyclohexylmethoxy)-N- methyl-9H-purin-2-amin | 5.3 | 5.18 | 4.92 | 5.2791 | 5.2741 |
| 27 | 6-(Cyclohexylmethoxy)-N-ethyl-9H-purin-2-amin | 5.55 | 5.78 | 5.6238 | 5.2692 | 5.26 |
| 28 | N-(3-Chlorophenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 5.64 | 5.41 | 5.76 | 5.4811 | 5.7077 |
| 29 | N-(3-Bromophenyl)-6-(cyclohexylmethoxy)9H-purin-2-amine | 5.17 | 5.34 | 4.947 | 5.4014 | 5.3896 |
| 30 | (3-(6-(Cyclomethylmethoxy)9H-purin-2-ylamino)phenyl)methanol | 6.4 | 6.48 | 6.4982 | 6.2763 | 6.317 |
| 31 | 6-(Cyclohexylmethoxy)-N-(3-methoxyphenyl)-9H-purin-2-amine | 5.74 | 6.29 | 6.08 | 6.0901 | 6.0515 |
| 32 | 6-(Cyclohexylmethoxy)-N-(3-(methylthio)phenyl)-9H-purin-2-amine | 5.77 | 5.96 | 5.9264 | 5.9645 | 5.9312 |
| 33 | 6-(Cyclohexylmethoxy)-N-(4-methoxyphenyl)-9H-purin-2-amine | 6.19 | 6.37 | 5.99 | 5.7645 | 5.9589 |
| 34 | 6-(Cyclomethylmethoxy)N-(4-(methylsulfonyl)phenyl)-N,N-dimethyl-9H-purin-2-amine | 6.19 | 6.37 | 5.99 | 5.7645 | 5.9589 |
| 35 | 6-(Cyclomethylmethoxy)-N-(4-(methylsulfonyl)phenyl)-9H-purin-2-amine | 7.22 | 7.24 | 6.7582 | 6.773 | 6.9168 |
| 36 | 6-(Cyclohexylmethoxy)-N-(4-(methylsulfonyl)phenyl)-9H-purin-2-amine | 7.00 | 7.07 | 6.8456 | 6.5432 | 6.6683 |
| 37 | 6-(Cyclohexylmethoxy)-N-(4-(ethyl sulfonyl)phenyl)-9H-purin-2-amine | 6.68 | 6.82 | 6.67 | 6.4289 | 6.912 |
| 38 | 4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino)benzamide | 6.19 | 6.4 | 6.74 | 6.3105 | 6.5367 |
| 39 | 4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino)-N-methylbenzamide | 6.7 | 6.91 | 6.7797 | 6.4012 | 6.5837 |
| 40 | 4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino)-N,N-dimethylbenzamide | 6.7 | 6.5 | 6.4905 | 6.5163 | 6.6349 |
| 41 | 6-(Cyclohexylmethoxy)-N-(4-(prop-1-en-2-yl)phenyl)-9H-purin-2-amine | 6.52 | 6.44 | 7.0214 | 6.416 | 6.5527 |
| 42 | 1-(4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino)phenyl)ethanol | 6.1 | 6.5 | 6.68 | 6.4374 | 6.4769 |
| 43 | 2-(4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino)phenyl)acetonitril | 6.52 | 6.36 | 6.3441 | 6.5529 | 6.453 |
| 44 | N-(4-(2-(4-Methylpiperazin-1-yl)ethylsulfonyl)pheyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 6.92 | 7.05 | 6.8082 | 6.9098 | 6.8732 |
| 45 | N-(4-(2-(Piperidin-1-yl)ethylsulfonyl)phenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 6.47 | 6.61 | 6.66 | 6.6328 | 6.652 |
| 46 | N-(4-(2-Thiomorpholinoethylsulfonyl)phenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 6.27 | 6.41 | 7.347 | 5.983 | 6.1249 |
| 47 | N-(4-(2-(Diethylamino)ethylsulfonyl)phenyl)-6-(cylohexylmethoxy)-9H-purin-2-amine | 6.35 | 6.38 | 6.3132 | 6.7114 | 6.613 |
| 48 | N-(4-(2-(4-Isopropylpiperazin-1-yl)ethylsulfonyl)phenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 6.47 | 6.4 | 6.8005 | 6.8036 | 6.6025 |
| 49 | 2-(4-(2-(4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino)phenylsulfonyl)ethyl)piperazin-1-yl)ethanol | 6.59 | 6.63 | 6.59 | 6.7072 | 6.8705 |
| 50 | 2-(1-(2-(4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino)phenylsulfonyl)ethyl)piperidin-4-yl)ethanol | 6.62 | 6.53 | 6.36 | 6.6902 | 6.6265 |
| 51 | 2-(2-(4-(2-(4-(6-(Cyclohexylmethoxy)-9H-purin-2-ylamino) phenylsulfonyl)ethyl)piperazin-1-yl)ethoxy)ethanol | 6.51 | 6.44 | 6.5378 | 6.4673 | 6.636 |
| 52 | N-(4-(2-(4-(Ethylpiperazin-1-yl)ethylsulfonyl)phenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 6.59 | 6.72 | 6.6713 | 6.7344 | 6.4404 |
| 53 | 1-(4-(2-(4-(6-(Cyclohexylmethoxy)-9H-purin-2-yl amino)
phenylsulfonyl)ethyl)piperazin-1-yl)ethanone | 6.64 | 6.67 | 6.2815 | 6.6566 | 6.6462 |
| 54 | N-(4-(2-(4-(2-(Methoxyethyl)piperazin-1-yl)ethylsulfonyl)phenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 6.54 | 6.47 | 6.8 | 6.0738 | 6.6812 |
| 55 | N-(4-(2-(Pyrrolidin-1-1yl)ethylsulfonyl)phhenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine | 6.74 | 6.89 | 6.8736 | 6.5724 | 6.6375 |
| 56 | 6-(Cyclohexylethoxy)-9H-purin | 6.96 | 6.56 | 6.96 | 6.8179 | 6.5037 |
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