General Information of the Compound
| Compound ID |
CP0507393
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| Compound Name |
8-[4-[6-[ethyl-(4-methoxyphenyl)sulfamoyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Formula |
C35H40N2O8S
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| Molecular Weight |
648.778
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| Canonical SMILES |
CCN(c1ccc(OC)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1
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| InChI |
InChI=1S/C35H40N2O8S/c1-3-37(26-16-20-28(44-2)21-17-26)46(42,43)30-22-29-33(23-12-18-27(38)19-13-23)34(35(30)45-29)24-10-14-25(15-11-24)36-31(39)8-6-4-5-7-9-32(40)41/h10-21,29-30,35,38H,3-9,22H2,1-2H3,(H,36,39)(H,40,41)
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| InChIKey |
LUJMFJARZPYORT-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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