General Information of the Compound
| Compound ID |
CP0077197
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| Compound Name |
phenyl 6-[4-[(E)-2-(3,5-dimethoxyphenyl)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 |
C34H30O7S
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| Molecular Weight |
582.674
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| Canonical SMILES |
COc1cc(OC)cc(\C=C\c2ccc(cc2)C2=C(C3CC(C2O3)S(=O)(=O)Oc2ccccc2)c2ccc(O)cc2)c1
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| InChI |
InChI=1S/C34H30O7S/c1-38-28-18-23(19-29(20-28)39-2)9-8-22-10-12-25(13-11-22)33-32(24-14-16-26(35)17-15-24)30-21-31(34(33)40-30)42(36,37)41-27-6-4-3-5-7-27/h3-20,30-31,34-35H,21H2,1-2H3/b9-8+
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| InChIKey |
MFOSMBGGXTXAAV-CMDGGOBGSA-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