General Information of the Compound
| Compound ID |
CP0918966
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| Compound Name |
Sodium-((2,3-Difluorobenzyl)-5-Cyclobutylamido-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 |
C29H32ClF2N2NaO9
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| Molecular Weight |
649.019
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| Canonical SMILES |
O=C(CC1CCC1)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/C29H33ClF2N2O9.Na/c30-18-9-7-16(8-10-18)27(39)33-13-21(36)25(38)26-24(34-22(37)11-15-3-1-4-15)20(35)12-29(43-26,28(40)41)42-14-17-5-2-6-19(31)23(17)32;/h2,5-10,15,20-21,24-26,35-36,38H,1,3-4,11-14H2,(H,33,39)(H,34,37)(H,40,41);/q;+1/p-1/t20-,21+,24+,25-,26+,29+;/m0./s1
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| InChIKey |
HNQYTPFVKKLYSN-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