General Information of the Compound
| Compound ID |
CP0373281
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| Compound Name |
(2S,3R,4R,5S)-2-(4-Chloro-3-(4-(thiazol-2-yloxy)benzyl)phenyl)-6-methoxytetrahydro-2Hpyran-3,4,5-triol
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| Structure |
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| Formula |
C22H22ClNO6S
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| Molecular Weight |
463.939
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| Canonical SMILES |
COC1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ccc(Oc3nccs3)cc2)c1
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| InChI |
InChI=1S/C22H22ClNO6S/c1-28-21-19(27)17(25)18(26)20(30-21)13-4-7-16(23)14(11-13)10-12-2-5-15(6-3-12)29-22-24-8-9-31-22/h2-9,11,17-21,25-27H,10H2,1H3/t17-,18-,19+,20+,21?/m1/s1
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| InChIKey |
ALSQUTLPOIELFL-AUGMSIGLSA-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