General Information of the Compound
| Compound ID |
CP0539049
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| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[[2-(trifluoromethyl)phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C20H20F3N7O5
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| Molecular Weight |
495.418
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccccc3C(F)(F)F)ncnc12
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| InChI |
InChI=1S/C20H20F3N7O5/c1-2-24-17(33)14-12(31)13(32)18(35-14)30-8-27-11-15(25-7-26-16(11)30)29-19(34)28-10-6-4-3-5-9(10)20(21,22)23/h3-8,12-14,18,31-32H,2H2,1H3,(H,24,33)(H2,25,26,28,29,34)/t12-,13+,14-,18+/m0/s1
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| InChIKey |
MQIZZPSCHINNAZ-MOROJQBDSA-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