General Information of the Compound
| Compound ID |
CP0888531
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| Compound Name |
Sodium-((2,3-Difluorobenzyl)-5-Methylsulfonamido-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 |
C24H26ClF2N2NaO10S
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| Molecular Weight |
630.982
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| Canonical SMILES |
CS(=O)(=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/C24H27ClF2N2O10S.Na/c1-40(36,37)29-19-16(30)9-24(23(34)35,38-11-13-3-2-4-15(26)18(13)27)39-21(19)20(32)17(31)10-28-22(33)12-5-7-14(25)8-6-12;/h2-8,16-17,19-21,29-32H,9-11H2,1H3,(H,28,33)(H,34,35);/q;+1/p-1/t16-,17+,19+,20-,21+,24+;/m0./s1
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| InChIKey |
ZVQONGLSUNQOPH-MBSMGJJXSA-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