General Information of the Compound
| Compound ID |
CP0061433
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| Compound Name |
[4-[(E)-2-phenylethenyl]phenyl] 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 |
C32H26O6S
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| Molecular Weight |
538.621
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| Canonical SMILES |
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccc(\C=C\c2ccccc2)cc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C32H26O6S/c33-25-14-10-23(11-15-25)30-28-20-29(32(37-28)31(30)24-12-16-26(34)17-13-24)39(35,36)38-27-18-8-22(9-19-27)7-6-21-4-2-1-3-5-21/h1-19,28-29,32-34H,20H2/b7-6+
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| InChIKey |
JUSSRAFAXFTZRJ-VOTSOKGWSA-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