General Information of the Compound
| Compound ID |
CP0913197
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| Compound Name |
Sodium-((2,3-Difluorobenzyl)-5-Chloroacetamido-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 |
C25H25Cl2F2N2NaO9
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| Molecular Weight |
629.372
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| Canonical SMILES |
O=C(CCl)N[C@H]1[C@H]([C@@H](O)[C@H](O)CNC(=O)c2ccc(Cl)cc2)O[C@@](OCc2cccc(F)c2F)(C(=O)[O-])C[C@@H]1O.[Na+]
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| InChI |
InChI=1S/C25H26Cl2F2N2O9.Na/c26-9-18(34)31-20-16(32)8-25(24(37)38,39-11-13-2-1-3-15(28)19(13)29)40-22(20)21(35)17(33)10-30-23(36)12-4-6-14(27)7-5-12;/h1-7,16-17,20-22,32-33,35H,8-11H2,(H,30,36)(H,31,34)(H,37,38);/q;+1/p-1/t16-,17+,20+,21-,22+,25+;/m0./s1
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| InChIKey |
JPHKVUJYVHGLIV-ZBHGDPRWSA-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