General Information of the Compound
| Compound ID |
CP0851756
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| Compound Name |
Sodium-((2,3-Difluorobenzyl)-5-Methoxyacetamido-9-(4-chlorobenzamido)-3,5,9-trideoxy-D-glycero-alpha-D-galacto-2-nonulopyranosid)onate
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| Structure |
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| Formula |
C26H28ClF2N2NaO10
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| Molecular Weight |
624.953
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| Canonical SMILES |
COCC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O[C@@](OCc2cccc(F)c2F)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C26H29ClF2N2O10.Na/c1-39-12-19(34)31-21-17(32)9-26(25(37)38,40-11-14-3-2-4-16(28)20(14)29)41-23(21)22(35)18(33)10-30-24(36)13-5-7-15(27)8-6-13;/h2-8,17-18,21-23,32-33,35H,9-12H2,1H3,(H,30,36)(H,31,34)(H,37,38);/q;+1/p-1/t17-,18+,21+,22-,23+,26+;/m0./s1
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| InChIKey |
VJRVAQNNKVCBSA-UTCRMSHQSA-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