General Information of the Compound
| Compound ID |
CP0916400
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| Compound Name |
Sodium-(4-Chlorobenzyl 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 |
C25H27Cl2N2NaO9
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| Molecular Weight |
593.392
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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@@](OCc2ccc(Cl)cc2)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C25H28Cl2N2O9.Na/c1-13(30)29-20-18(31)10-25(24(35)36,37-12-14-2-6-16(26)7-3-14)38-22(20)21(33)19(32)11-28-23(34)15-4-8-17(27)9-5-15;/h2-9,18-22,31-33H,10-12H2,1H3,(H,28,34)(H,29,30)(H,35,36);/q;+1/p-1/t18-,19+,20+,21-,22+,25+;/m0./s1
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| InChIKey |
DQKXPGFHFIOBHM-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