General Information of the Compound
| Compound ID |
CP0405650
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| Compound Name |
(2R,3R,4S)-3-acetamido-2-[(1R,2R)-1,2-dihydroxy-3-(4-pentyltriazol-1-yl)propyl]-4-hydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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| Structure |
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| Formula |
C18H28N4O7
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| Molecular Weight |
412.443
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| Canonical SMILES |
CCCCCc1cn(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/C18H28N4O7/c1-3-4-5-6-11-8-22(21-20-11)9-13(25)16(26)17-15(19-10(2)23)12(24)7-14(29-17)18(27)28/h7-8,12-13,15-17,24-26H,3-6,9H2,1-2H3,(H,19,23)(H,27,28)/t12-,13+,15+,16+,17+/m0/s1
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| InChIKey |
GKMOCEXFVDXFOH-IHWGESPNSA-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