General Information of the Compound
| Compound ID |
CP0475540
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| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-[6-[[4-(pyridin-2-ylsulfonylamino)phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C24H25N9O7S
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| Molecular Weight |
583.587
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| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)Nc3ccc(NS(=O)(=O)c4ccccn4)cc3)ncnc12
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| InChI |
InChI=1S/C24H25N9O7S/c1-2-25-22(36)19-17(34)18(35)23(40-19)33-12-29-16-20(27-11-28-21(16)33)31-24(37)30-13-6-8-14(9-7-13)32-41(38,39)15-5-3-4-10-26-15/h3-12,17-19,23,32,34-35H,2H2,1H3,(H,25,36)(H2,27,28,30,31,37)/t17-,18+,19-,23+/m0/s1
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| InChIKey |
IQVYUNJWQGINHQ-QPXQOZNCSA-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