General Information of the Compound
| Compound ID |
CP0689907
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| Compound Name |
(exo-rac)-8-(4-(3-(4-Hydroxyphenyl)-6-(phenoxysulfonyl)-7-oxabicyclo-[2.2.1]hept-2-en-2-yl)phenylamino)-8-oxooctanoic Acid
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| Structure |
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| Formula |
C32H33NO8S
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| Molecular Weight |
591.682
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| Canonical SMILES |
O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)C3CC(S(=O)(=O)Oc4ccccc4)C2O3)cc1
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| InChI |
InChI=1S/C32H33NO8S/c34-24-18-14-21(15-19-24)30-26-20-27(42(38,39)41-25-8-4-3-5-9-25)32(40-26)31(30)22-12-16-23(17-13-22)33-28(35)10-6-1-2-7-11-29(36)37/h3-5,8-9,12-19,26-27,32,34H,1-2,6-7,10-11,20H2,(H,33,35)(H,36,37)
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| InChIKey |
NIZURGMPPMFBPX-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
Protein ID: PT00889, Estrogen receptor beta
Cell Viability or Cytotoxicity Assay