General Information of the Compound
| Compound ID |
CP0262743
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| Compound Name |
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] (1R,2S,4R)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C34H30O8S
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| Molecular Weight |
598.673
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| Canonical SMILES |
COc1cc(OC)cc(\C=C\c2ccc(OS(=O)(=O)[C@H]3C[C@H]4O[C@@H]3C(=C4c3ccc(O)cc3)c3ccc(O)cc3)cc2)c1
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| InChI |
InChI=1S/C34H30O8S/c1-39-28-17-22(18-29(19-28)40-2)4-3-21-5-15-27(16-6-21)42-43(37,38)31-20-30-32(23-7-11-25(35)12-8-23)33(34(31)41-30)24-9-13-26(36)14-10-24/h3-19,30-31,34-36H,20H2,1-2H3/b4-3+/t30-,31+,34+/m1/s1
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| InChIKey |
XHKLZVBLMBBATN-DSCIQARCSA-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