General Information of the Compound
| Compound ID |
CP0482936
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| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1,2-dihydroxy-3-[4-(4-methylphenyl)triazol-1-yl]propyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C20H24N4O7
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| Molecular Weight |
432.433
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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)Cn1cc(nn1)-c1ccc(C)cc1)C(O)=O
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| InChI |
InChI=1S/C20H24N4O7/c1-10-3-5-12(6-4-10)13-8-24(23-22-13)9-15(27)18(28)19-17(21-11(2)25)14(26)7-16(31-19)20(29)30/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 |
NAJRQYDHGPOOTE-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