General Information of the Compound
| Compound ID |
CP0561033
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| Compound Name |
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[[5-(1,3-thiazol-5-yl)thiophen-2-yl]methyl]phenyl]oxane-3,4,5-triol
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| Structure |
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| Formula |
C21H23NO5S2
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| Molecular Weight |
433.551
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| Canonical SMILES |
Cc1ccc(cc1Cc1ccc(s1)-c1cncs1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C21H23NO5S2/c1-11-2-3-12(21-20(26)19(25)18(24)15(9-23)27-21)6-13(11)7-14-4-5-16(29-14)17-8-22-10-28-17/h2-6,8,10,15,18-21,23-26H,7,9H2,1H3/t15-,18-,19+,20-,21+/m1/s1
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| InChIKey |
DTJHXUKKQNRZRA-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