General Information of the Compound
| Compound ID |
CP0473813
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| Compound Name |
((1S,3'R,4'S,5'S,6'R)-5-chloro-4-(4-ethylbenzyl)-3',4',5'-trihydroxy-3',4',5',6'-tetrahydro-3H-spiro[isobenzofuran-1,2'-pyran]-6'-yl)methyl acetate
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| Structure |
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| Formula |
C24H27ClO7
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| Molecular Weight |
462.926
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| Canonical SMILES |
CCc1ccc(Cc2c3CO[C@]4(O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]4O)c3ccc2Cl)cc1
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| InChI |
InChI=1S/C24H27ClO7/c1-3-14-4-6-15(7-5-14)10-16-17-11-31-24(18(17)8-9-19(16)25)23(29)22(28)21(27)20(32-24)12-30-13(2)26/h4-9,20-23,27-29H,3,10-12H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
NYWJAYGVVLWKPQ-SJSRKZJXSA-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