General Information of the Compound
| Compound ID |
CP0521420
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(4-Chloro-3-((5-(3,5-dimethylisoxazol-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 |
C20H22ClN3O6S
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| Molecular Weight |
467.931
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| Canonical SMILES |
Cc1noc(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/C20H22ClN3O6S/c1-8-15(9(2)30-24-8)20-23-22-14(31-20)6-11-5-10(3-4-12(11)21)19-18(28)17(27)16(26)13(7-25)29-19/h3-5,13,16-19,25-28H,6-7H2,1-2H3/t13-,16-,17+,18-,19+/m1/s1
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| InChIKey |
RFGHVKZKQSVMMC-SFKBXODTSA-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