General Information of the Compound
| Compound ID |
CP0546594
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| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1,2-dihydroxy-3-(4-methylpentanoylamino)propyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C17H28N2O8
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| Molecular Weight |
388.417
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| Canonical SMILES |
CC(C)CCC(=O)NC[C@@H](O)[C@@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O
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| InChI |
InChI=1S/C17H28N2O8/c1-8(2)4-5-13(23)18-7-11(22)15(24)16-14(19-9(3)20)10(21)6-12(27-16)17(25)26/h6,8,10-11,14-16,21-22,24H,4-5,7H2,1-3H3,(H,18,23)(H,19,20)(H,25,26)/t10-,11+,14+,15+,16+/m0/s1
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| InChIKey |
QHXGLFRKGATBIP-IQVWLFHZSA-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