General Information of the Compound
| Compound ID |
CP0463934
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[3-[(1-benzylazulen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C30H30O5
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| Molecular Weight |
470.565
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cccc(Cc2cc3cccccc3c2Cc2ccccc2)c1
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| InChI |
InChI=1S/C30H30O5/c31-18-26-27(32)28(33)29(34)30(35-26)22-12-7-10-20(14-22)15-23-17-21-11-5-2-6-13-24(21)25(23)16-19-8-3-1-4-9-19/h1-14,17,26-34H,15-16,18H2/t26-,27-,28+,29-,30+/m1/s1
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| InChIKey |
UNIHNHSXYCGDHY-RLXMVLCYSA-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