General Information of the Compound
| Compound ID |
CP0509752
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| Compound Name |
(2R,3R,4S)-N-ethyl-3,4-dihydroxy-5-[6-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamoylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C23H24N10O7S
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| Molecular Weight |
584.575
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| Canonical SMILES |
CCNC(=O)[C@@H]1OC([C@@H](O)[C@H]1O)n1cnc2c(NC(=O)Nc3ccc(cc3)S(=O)(=O)Nc3ncccn3)ncnc12
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| InChI |
InChI=1S/C23H24N10O7S/c1-2-24-20(36)17-15(34)16(35)21(40-17)33-11-29-14-18(27-10-28-19(14)33)31-23(37)30-12-4-6-13(7-5-12)41(38,39)32-22-25-8-3-9-26-22/h3-11,15-17,21,34-35H,2H2,1H3,(H,24,36)(H,25,26,32)(H2,27,28,30,31,37)/t15-,16+,17-,21?/m1/s1
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| InChIKey |
QRRCPELOVIBHAK-IJIRQLBGSA-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