General Information of the Compound
| Compound ID |
CP0445048
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| Compound Name |
(4S,5R,6R)-5-acetamido-6-((1S,2S)-3-benzamido-1,2-dihydroxypropyl)-4-hydroxy-5,6-dihydro-4H-pyran-2-carboxylic acid
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| Structure |
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| Formula |
C18H22N2O8
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| Molecular Weight |
394.38
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| Canonical SMILES |
CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@@H](O)[C@@H](O)CNC(=O)c1ccccc1)C(O)=O
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| InChI |
InChI=1S/C18H22N2O8/c1-9(21)20-14-11(22)7-13(18(26)27)28-16(14)15(24)12(23)8-19-17(25)10-5-3-2-4-6-10/h2-7,11-12,14-16,22-24H,8H2,1H3,(H,19,25)(H,20,21)(H,26,27)/t11-,12-,14+,15-,16+/m0/s1
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| InChIKey |
ZIGQEQQUVHQXEH-LZNONINNSA-N
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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