General Information of the Compound
| Compound ID |
CP0527004
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| Compound Name |
(2S,3R,4R,5S,6S)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(ethylthiomethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H24ClNO5S2
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| Molecular Weight |
482.023
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| Canonical SMILES |
CCSC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C22H24ClNO5S2/c1-2-30-11-16-19(25)20(26)21(27)22(29-16)12-5-6-14(23)13(8-12)9-18-24-10-17(31-18)15-4-3-7-28-15/h3-8,10,16,19-22,25-27H,2,9,11H2,1H3/t16-,19-,20+,21-,22+/m1/s1
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| InChIKey |
PYRMJBKFRQRKKS-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