General Information of the Compound
| Compound ID |
CP0926206
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| Compound Name |
Sodium-((2,3-Difluorobenzyl)-5-(o-Nitrotoluenesulfonamido)-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 |
C29H27ClF2N3NaO12S
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| Molecular Weight |
738.05
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| Canonical SMILES |
O=C(NC[C@@H](O)[C@H](O)[C@@H]1O[C@@](OCc2cccc(F)c2F)(C(=O)[O-])C[C@H](O)[C@H]1NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1.[Na+]
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| InChI |
InChI=1S/C29H28ClF2N3O12S.Na/c30-17-10-8-15(9-11-17)27(39)33-13-21(37)25(38)26-24(34-48(44,45)22-7-2-1-6-19(22)35(42)43)20(36)12-29(47-26,28(40)41)46-14-16-4-3-5-18(31)23(16)32;/h1-11,20-21,24-26,34,36-38H,12-14H2,(H,33,39)(H,40,41);/q;+1/p-1/t20-,21+,24+,25-,26+,29+;/m0./s1
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| InChIKey |
LBBKZWKBMKYBBK-MVNCLJTBSA-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