General Information of the Compound
| Compound ID |
CP0851753
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| Compound Name |
sodium [benzyl 5-acetamido-9-(4-chlorobenzamido)-3,5,9-trideoxy-D-glycero-a-D-galacto-2-nonulopyranosid]onate
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| Structure |
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| Formula |
C25H28ClN2NaO9
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| Molecular Weight |
558.947
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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@@](OCc2ccccc2)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C25H29ClN2O9.Na/c1-14(29)28-20-18(30)11-25(24(34)35,36-13-15-5-3-2-4-6-15)37-22(20)21(32)19(31)12-27-23(33)16-7-9-17(26)10-8-16;/h2-10,18-22,30-32H,11-13H2,1H3,(H,27,33)(H,28,29)(H,34,35);/q;+1/p-1/t18-,19+,20+,21-,22+,25+;/m0./s1
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| InChIKey |
UTODJHWJUOVQFG-PPJYUMFQSA-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