General Information of the Compound
| Compound ID |
CP0397737
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| Compound Name |
1-[2-[[3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]azulen-1-yl]ethanone
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| Structure |
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| Formula |
C25H26O6
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| Molecular Weight |
422.477
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| Canonical SMILES |
CC(=O)c1c(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2cccccc12
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| InChI |
InChI=1S/C25H26O6/c1-14(27)21-18(12-16-7-3-2-4-9-19(16)21)11-15-6-5-8-17(10-15)25-24(30)23(29)22(28)20(13-26)31-25/h2-10,12,20,22-26,28-30H,11,13H2,1H3/t20-,22-,23+,24-,25+/m1/s1
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| InChIKey |
MGZBZOHCCNFPJW-HFBCXCLPSA-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