General Information of the Compound
| Compound ID |
CP0915457
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| Compound Name |
Sodium-(Pentafluorobenzyl 5-Acetamido-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 |
C25H23ClF5N2NaO9
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| Molecular Weight |
648.897
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| Canonical SMILES |
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O[C@@](OCc2c(F)c(F)c(F)c(F)c2F)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C25H24ClF5N2O9.Na/c1-9(34)33-20-13(35)6-25(24(39)40,41-8-12-15(27)17(29)19(31)18(30)16(12)28)42-22(20)21(37)14(36)7-32-23(38)10-2-4-11(26)5-3-10;/h2-5,13-14,20-22,35-37H,6-8H2,1H3,(H,32,38)(H,33,34)(H,39,40);/q;+1/p-1/t13-,14+,20+,21-,22+,25+;/m0./s1
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| InChIKey |
YLEWMFZCDABEJQ-YMIMNWNHSA-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