General Information of the Compound
| Compound ID |
CP0438463
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| Compound Name |
(2S,3S,4R)-N-ethyl-3,4-dihydroxy-5-[6-[[(1S)-1-phenylethyl]amino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C20H24N6O4
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| Molecular Weight |
412.45
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| Canonical SMILES |
CCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](C)c3ccccc3)ncnc12
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| InChI |
InChI=1S/C20H24N6O4/c1-3-21-19(29)16-14(27)15(28)20(30-16)26-10-24-13-17(22-9-23-18(13)26)25-11(2)12-7-5-4-6-8-12/h4-11,14-16,20,27-28H,3H2,1-2H3,(H,21,29)(H,22,23,25)/t11-,14-,15+,16-,20?/m0/s1
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| InChIKey |
XPUFNTFEUQZNQM-NBEJSBDLSA-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