General Information of the Compound
| Compound ID |
CP0409283
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| Compound Name |
4-[2,2,2-tribromo-1-(4-hydroxyphenyl)ethyl]phenol
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| Structure |
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| Formula |
C14H11Br3O2
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| Molecular Weight |
450.952
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| Canonical SMILES |
Oc1ccc(cc1)C(c1ccc(O)cc1)C(Br)(Br)Br
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| InChI |
InChI=1S/C14H11Br3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H
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| InChIKey |
CSHGNLUDXTVAEE-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