General Information of the Compound
| Compound ID |
CP0872711
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| Compound Name |
sodium-(2R,4S,5R,6R)-2-((1H-1,2,3-triazol-4-yl)methoxy)-5-acetamido-6-((1S,2R)-3-benzamido-1,2-dihydroxypropyl)-4-hydroxytetrahydro-2H-pyran-2-carboxylate
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| Structure |
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| Formula |
C21H26N5NaO9
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| Molecular Weight |
515.455
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| Canonical SMILES |
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccccc2)O[C@@](OCc2c[nH]nn2)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C21H27N5O9.Na/c1-11(27)24-16-14(28)7-21(20(32)33,34-10-13-8-23-26-25-13)35-18(16)17(30)15(29)9-22-19(31)12-5-3-2-4-6-12;/h2-6,8,14-18,28-30H,7,9-10H2,1H3,(H,22,31)(H,24,27)(H,32,33)(H,23,25,26);/q;+1/p-1/t14-,15+,16+,17-,18+,21+;/m0./s1
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| InChIKey |
LGPYBHNWTJYKPQ-QMINKJDQSA-M
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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