General Information of the Compound
| Compound ID |
CP0508237
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((5-(Furan-2-yl)thiazol-2-yl)methyl)-4-methylphenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H23NO6S
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| Molecular Weight |
417.483
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| Canonical SMILES |
Cc1ccc(cc1Cc1ncc(s1)-c1ccco1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H23NO6S/c1-11-4-5-12(21-20(26)19(25)18(24)15(10-23)28-21)7-13(11)8-17-22-9-16(29-17)14-3-2-6-27-14/h2-7,9,15,18-21,23-26H,8,10H2,1H3/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
SWDWZFQQWDGSIN-GRARQNNCSA-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