General Information of the Compound
| Compound ID |
CP0114954
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| Compound Name |
8-[4-[3-(4-hydroxyphenyl)-6-[2-(trifluoromethyl)phenoxy]sulfonyl-7-oxabicyclo[2.2.1]hept-2-en-2-yl]anilino]-8-oxooctanoic acid
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| Structure |
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| Formula |
C33H32F3NO8S
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| Molecular Weight |
659.679
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| Canonical SMILES |
OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(O)cc1
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| InChI |
InChI=1S/C33H32F3NO8S/c34-33(35,36)24-7-5-6-8-25(24)45-46(42,43)27-19-26-30(20-13-17-23(38)18-14-20)31(32(27)44-26)21-11-15-22(16-12-21)37-28(39)9-3-1-2-4-10-29(40)41/h5-8,11-18,26-27,32,38H,1-4,9-10,19H2,(H,37,39)(H,40,41)
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| InChIKey |
URRAWXNQIBNYAU-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: PT00886, Estrogen receptor
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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TI
LI
LO
TS
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| CL000119 | DU145 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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