General Information of the Compound
| Compound ID |
CP0496932
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| Compound Name |
(1S,3'R,4'S,5'S,6'R)-5-chloro-6-(3-chloro-4-ethoxybenzyl)-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[isobenzofuran-1,2'-pyran]-3',4',5'-triol
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| Structure |
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| Formula |
C22H24Cl2O7
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| Molecular Weight |
471.333
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| Canonical SMILES |
CCOc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2Cl)cc1Cl
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| InChI |
InChI=1S/C22H24Cl2O7/c1-2-29-17-4-3-11(6-16(17)24)5-12-7-14-13(8-15(12)23)10-30-22(14)21(28)20(27)19(26)18(9-25)31-22/h3-4,6-8,18-21,25-28H,2,5,9-10H2,1H3/t18-,19-,20+,21-,22+/m1/s1
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| InChIKey |
VWYLYBZWOXMNDA-BDHVOXNPSA-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