General Information of the Compound
| Compound ID |
CP0455320
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| Compound Name |
(3S,4R,5R,6S)-2-(benzyloxy)-6-(4-chloro-3-(4-ethoxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C27H29ClO6
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| Molecular Weight |
484.976
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| Canonical SMILES |
CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2OC(OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C27H29ClO6/c1-2-32-21-11-8-17(9-12-21)14-20-15-19(10-13-22(20)28)26-24(30)23(29)25(31)27(34-26)33-16-18-6-4-3-5-7-18/h3-13,15,23-27,29-31H,2,14,16H2,1H3/t23-,24-,25+,26+,27?/m1/s1
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| InChIKey |
QKEQDXYUUYYDDR-HKQFDGPLSA-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