General Information of the Compound
| Compound ID |
CP0061390
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| Compound Name |
(3-methylphenyl) 6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl]-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C33H28O7S
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| Molecular Weight |
568.647
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| Canonical SMILES |
Cc1cccc(OS(=O)(=O)C2CC3OC2C(=C3c2ccc(O)cc2)c2ccc(\C=C\c3cc(O)cc(O)c3)cc2)c1
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| InChI |
InChI=1S/C33H28O7S/c1-20-3-2-4-28(15-20)40-41(37,38)30-19-29-31(23-11-13-25(34)14-12-23)32(33(30)39-29)24-9-7-21(8-10-24)5-6-22-16-26(35)18-27(36)17-22/h2-18,29-30,33-36H,19H2,1H3/b6-5+
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| InChIKey |
IRTVOLGFVDKVLD-AATRIKPKSA-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