General Information of the Compound
| Compound ID |
CP0564589
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| Compound Name |
US9034921, E007
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| Structure |
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| Formula |
C24H30O6
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| Molecular Weight |
414.498
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| Canonical SMILES |
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2C)cc1
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| InChI |
InChI=1S/C24H30O6/c1-13-15(10-14-6-8-16(29-2)9-7-14)11-19(18-5-3-4-17(13)18)24-23(28)22(27)21(26)20(12-25)30-24/h6-9,11,20-28H,3-5,10,12H2,1-2H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
GUKIVDOSBYFYLU-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