General Information of the Compound
| Compound ID |
CP0495663
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| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1,2-dihydroxy-3-[4-(4-methoxyphenyl)triazol-1-yl]propyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C20H24N4O8
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| Molecular Weight |
448.432
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| Canonical SMILES |
COc1ccc(cc1)-c1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(=C[C@H](O)[C@H]2NC(C)=O)C(O)=O)nn1
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| InChI |
InChI=1S/C20H24N4O8/c1-10(25)21-17-14(26)7-16(20(29)30)32-19(17)18(28)15(27)9-24-8-13(22-23-24)11-3-5-12(31-2)6-4-11/h3-8,14-15,17-19,26-28H,9H2,1-2H3,(H,21,25)(H,29,30)/t14-,15+,17+,18+,19+/m0/s1
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| InChIKey |
KQJHVWDGXKAZTO-ZPKKHLQPSA-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