General Information of the Compound
| Compound ID |
CP0399748
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| Compound Name |
(2R,3S,4R,5R,6S)-2-Hydroxymethyl-6-[3-(2-m-tolyl-ethyl)-phenyl]-tetrahydro-pyran-3,4,5-triol
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| Structure |
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| Formula |
C21H26O5
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| Molecular Weight |
358.434
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| Canonical SMILES |
Cc1cccc(CCc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
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| InChI |
InChI=1S/C21H26O5/c1-13-4-2-5-14(10-13)8-9-15-6-3-7-16(11-15)21-20(25)19(24)18(23)17(12-22)26-21/h2-7,10-11,17-25H,8-9,12H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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| InChIKey |
APWXGJKLDJIIKV-ADAARDCZSA-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