General Information of the Compound
| Compound ID |
CP0228060
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| Compound Name |
1,2-Bis-(4-hydroxy-phenyl)-but-1-ene
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| Structure |
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| Formula |
C16H16O2
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| Molecular Weight |
240.302
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| Canonical SMILES |
CC\C(=C/c1ccc(O)cc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C16H16O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h3-11,17-18H,2H2,1H3/b13-11+
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| InChIKey |
PIEBWUHNLFOEHS-ACCUITESSA-N
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| CAS |
3691-71-2
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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