General Information of the Compound
| Compound ID |
CP0381171
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((5-(Benzofuran-2-yl)-1,3,4-thiadiazol-2-yl)methyl)-4-chlorophenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C23H21ClN2O6S
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| Molecular Weight |
488.949
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2nnc(s2)-c2cc3ccccc3o2)c1
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| InChI |
InChI=1S/C23H21ClN2O6S/c24-14-6-5-12(22-21(30)20(29)19(28)17(10-27)32-22)7-13(14)9-18-25-26-23(33-18)16-8-11-3-1-2-4-15(11)31-16/h1-8,17,19-22,27-30H,9-10H2/t17-,19-,20+,21-,22+/m1/s1
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| InChIKey |
QHLXCURVBGXQHH-VOFPXKNKSA-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