General Information of the Compound
| Compound ID |
CP0851754
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| Compound Name |
Sodium-(2-Naphthyl 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 |
C29H30ClN2NaO9
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| Molecular Weight |
609.007
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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@@](OCc2ccc3ccccc3c2)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C29H31ClN2O9.Na/c1-16(33)32-24-22(34)13-29(28(38)39,40-15-17-6-7-18-4-2-3-5-20(18)12-17)41-26(24)25(36)23(35)14-31-27(37)19-8-10-21(30)11-9-19;/h2-12,22-26,34-36H,13-15H2,1H3,(H,31,37)(H,32,33)(H,38,39);/q;+1/p-1/t22-,23+,24+,25-,26+,29+;/m0./s1
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| InChIKey |
WHPFGMOORBAZNU-NJCSLYTNSA-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