General Information of the Compound
| Compound ID |
CP0437806
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| Compound Name |
(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-tert-butyl-3,4-dihydroxyoxolane-2-carboxamide
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| Structure |
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| Formula |
C14H20N6O4
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| Molecular Weight |
336.352
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| Canonical SMILES |
CC(C)(C)NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C14H20N6O4/c1-14(2,3)19-12(23)9-7(21)8(22)13(24-9)20-5-18-6-10(15)16-4-17-11(6)20/h4-5,7-9,13,21-22H,1-3H3,(H,19,23)(H2,15,16,17)/t7-,8+,9-,13+/m0/s1
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| InChIKey |
KUXMPOBZULLNDF-QRIDJOKKSA-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