General Information of the Compound
| Compound ID |
CP0527240
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| Compound Name |
(2R,3R,4S,5S,6R)-2-[4-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-5-methylthiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C22H23FO5S2
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| Molecular Weight |
450.553
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| Canonical SMILES |
Cc1sc(cc1Cc1ccc(s1)-c1ccc(F)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H23FO5S2/c1-11-13(8-15-6-7-17(30-15)12-2-4-14(23)5-3-12)9-18(29-11)22-21(27)20(26)19(25)16(10-24)28-22/h2-7,9,16,19-22,24-27H,8,10H2,1H3/t16-,19-,20+,21-,22+/m1/s1
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| InChIKey |
OYQCMVGIBJEEOT-OSKXVONFSA-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