General Information of the Compound
| Compound ID |
CP0514779
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| Compound Name |
((2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(3-ethyl-5-methylisoxazol-4-yl)-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 |
C21H24ClN3O6S
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| Molecular Weight |
481.958
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| Canonical SMILES |
CCc1noc(C)c1-c1nnc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C21H24ClN3O6S/c1-3-13-16(9(2)31-25-13)21-24-23-15(32-21)7-11-6-10(4-5-12(11)22)20-19(29)18(28)17(27)14(8-26)30-20/h4-6,14,17-20,26-29H,3,7-8H2,1-2H3/t14-,17-,18+,19-,20+/m1/s1
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| InChIKey |
DWTOONJKXGAOFC-QSWMPLQWSA-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