General Information of the Compound
| Compound ID |
CP0914692
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| Compound Name |
Sodium-(2,3-Dichlorobenzyl 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 |
C25H26Cl3N2NaO9
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| Molecular Weight |
627.837
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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@@](OCc2cccc(Cl)c2Cl)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C25H27Cl3N2O9.Na/c1-12(31)30-20-17(32)9-25(24(36)37,38-11-14-3-2-4-16(27)19(14)28)39-22(20)21(34)18(33)10-29-23(35)13-5-7-15(26)8-6-13;/h2-8,17-18,20-22,32-34H,9-11H2,1H3,(H,29,35)(H,30,31)(H,36,37);/q;+1/p-1/t17-,18+,20+,21-,22+,25+;/m0./s1
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| InChIKey |
ICUJUZRHCMTETQ-CUEFYDLDSA-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