General Information of the Compound
| Compound ID |
CP0302514
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| Compound Name |
(+/-)-1,2-Bis-(4-hydroxy-phenyl)-2-methyl-butane
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| Structure |
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| Formula |
C17H20O2
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| Molecular Weight |
256.345
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| Canonical SMILES |
CCC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C17H20O2/c1-3-17(2,14-6-10-16(19)11-7-14)12-13-4-8-15(18)9-5-13/h4-11,18-19H,3,12H2,1-2H3
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| InChIKey |
SVTOZBWTNXWWDH-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