General Information of the Compound
| Compound ID |
CP0879734
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| Compound Name |
Sodium-((2,3-Difluorobenzyl)-5-Cyclopropylamido-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 |
C28H30ClF2N2NaO9
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| Molecular Weight |
634.992
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| Canonical SMILES |
O=C(CC1CC1)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/C28H31ClF2N2O9.Na/c29-17-8-6-15(7-9-17)26(38)32-12-20(35)24(37)25-23(33-21(36)10-14-4-5-14)19(34)11-28(42-25,27(39)40)41-13-16-2-1-3-18(30)22(16)31;/h1-3,6-9,14,19-20,23-25,34-35,37H,4-5,10-13H2,(H,32,38)(H,33,36)(H,39,40);/q;+1/p-1/t19-,20+,23+,24-,25+,28+;/m0./s1
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| InChIKey |
OWCIZURIWHUHMS-UARWJXSSSA-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