General Information of the Compound
| Compound ID |
CP0380476
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Cyclopropyl-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H25NO6S
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| Molecular Weight |
443.521
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(C2CC2)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C23H25NO6S/c25-11-17-20(26)21(27)22(28)23(30-17)13-5-6-15(12-3-4-12)14(8-13)9-19-24-10-18(31-19)16-2-1-7-29-16/h1-2,5-8,10,12,17,20-23,25-28H,3-4,9,11H2/t17-,20-,21+,22-,23+/m1/s1
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| InChIKey |
ACAUEKMPUFWNLM-PHNZBSFLSA-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