General Information of the Compound
| Compound ID |
CP0538849
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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-(tosylmethyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C27H26ClNO7S2
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| Molecular Weight |
576.092
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)C[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/C27H26ClNO7S2/c1-15-4-7-18(8-5-15)38(33,34)14-21-24(30)25(31)26(32)27(36-21)16-6-9-19(28)17(11-16)12-23-29-13-22(37-23)20-3-2-10-35-20/h2-11,13,21,24-27,30-32H,12,14H2,1H3/t21-,24-,25+,26-,27+/m1/s1
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| InChIKey |
IZJGHHDMKNZABK-TVMVJRKWSA-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