General Information of the Compound
| Compound ID |
CP0219034
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| Compound Name |
8-[4-[3-(4-hydroxyphenyl)-6-[methyl(naphthalen-1-yl)sulfamoyl]-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C37H38N2O7S
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| Molecular Weight |
654.785
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| Canonical SMILES |
CN(c1cccc2ccccc12)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1
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| InChI |
InChI=1S/C37H38N2O7S/c1-39(30-12-8-10-24-9-6-7-11-29(24)30)47(44,45)32-23-31-35(25-17-21-28(40)22-18-25)36(37(32)46-31)26-15-19-27(20-16-26)38-33(41)13-4-2-3-5-14-34(42)43/h6-12,15-22,31-32,37,40H,2-5,13-14,23H2,1H3,(H,38,41)(H,42,43)
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| InChIKey |
YGCSFYKMJPJLIE-UHFFFAOYSA-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: PT00889, Estrogen receptor beta
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000057 | Vero | Chlorocebus sabaeus (Green monkey) | 1 |
| 1 |
IC50 > 100000 nM
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