General Information of the Compound
| Compound ID |
CP0046304
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| Compound Name |
(4-bromophenyl) 6-[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
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| Structure |
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| Formula |
C32H33BrN2O8S
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| Molecular Weight |
685.593
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccc(Br)cc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C32H33BrN2O8S/c33-22-11-17-25(18-12-22)43-44(40,41)27-19-26-30(20-9-15-24(36)16-10-20)31(32(27)42-26)21-7-13-23(14-8-21)34-28(37)5-3-1-2-4-6-29(38)35-39/h7-18,26-27,32,36,39H,1-6,19H2,(H,34,37)(H,35,38)
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| InChIKey |
QFEYBEDSTQYORZ-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