General Information of the Compound
| Compound ID |
CP0893686
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| Compound Name |
2-(2-Fluoro-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5-(2-fluoro-4-hydroxylphenyl)selenophene
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| Structure |
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| Formula |
C23H23F2NO2Se
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| Molecular Weight |
462.398
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| Canonical SMILES |
Oc1ccc(-c2ccc(-c3ccc(OCCN4CCCCC4)cc3F)[se]2)c(F)c1
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| InChI |
InChI=1S/C23H23F2NO2Se/c24-20-14-16(27)4-6-18(20)22-8-9-23(29-22)19-7-5-17(15-21(19)25)28-13-12-26-10-2-1-3-11-26/h4-9,14-15,27H,1-3,10-13H2
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| InChIKey |
YSGUTDZYIQNBHG-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