General Information of the Compound
| Compound ID |
CP0118837
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| Compound Name |
phenyl 5-(4-hydroxyphenyl)-6-[4-[(E)-2-phenylethenyl]phenyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C32H26O5S
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| Molecular Weight |
522.622
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| Canonical SMILES |
Oc1ccc(cc1)C1=C(C2OC1CC2S(=O)(=O)Oc1ccccc1)c1ccc(\C=C\c2ccccc2)cc1
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| InChI |
InChI=1S/C32H26O5S/c33-26-19-17-24(18-20-26)30-28-21-29(38(34,35)37-27-9-5-2-6-10-27)32(36-28)31(30)25-15-13-23(14-16-25)12-11-22-7-3-1-4-8-22/h1-20,28-29,32-33H,21H2/b12-11+
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| InChIKey |
VAXQVIZAUTUSJT-VAWYXSNFSA-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 25200 nM
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