General Information of the Compound
| Compound ID |
CP0381168
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| Compound Name |
(3R,4R,5S,6R)-2-(3-((5-tert-Butyl-1,3,4-thiadiazol-2-yl)methyl)phenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C19H26N2O5S
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| Molecular Weight |
394.493
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| Canonical SMILES |
CC(C)(C)c1nnc(Cc2cccc(c2)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C19H26N2O5S/c1-19(2,3)18-21-20-13(27-18)8-10-5-4-6-11(7-10)17-16(25)15(24)14(23)12(9-22)26-17/h4-7,12,14-17,22-25H,8-9H2,1-3H3/t12-,14-,15+,16-,17?/m1/s1
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| InChIKey |
RAIIYMQOHRWNKI-KYEPVHRCSA-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