General Information of the Compound
| Compound ID |
CP0244628
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| Compound Name |
6-(4-Amino-4-(4-tert-butylbenzyl)piperidin-1-yl)-7H-purin-8(9H)-one
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| Structure |
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| Formula |
C21H28N6O
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| Molecular Weight |
380.496
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| Canonical SMILES |
CC(C)(C)c1ccc(CC2(N)CCN(CC2)c2ncnc3[nH]c(=O)[nH]c23)cc1
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| InChI |
InChI=1S/C21H28N6O/c1-20(2,3)15-6-4-14(5-7-15)12-21(22)8-10-27(11-9-21)18-16-17(23-13-24-18)26-19(28)25-16/h4-7,13H,8-12,22H2,1-3H3,(H2,23,24,25,26,28)
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| InChIKey |
CENSOIHHGQYIKW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound