General Information of the Compound
| Compound ID |
CP0854377
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| Compound Name |
2-(2-Fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-5-(2-fluoro-4-hydroxylphenyl)selenophene
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| Structure |
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| Formula |
C22H21F2NO2Se
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| Molecular Weight |
448.371
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| Canonical SMILES |
Oc1ccc(-c2ccc(-c3ccc(OCCN4CCCC4)cc3F)[se]2)c(F)c1
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| InChI |
InChI=1S/C22H21F2NO2Se/c23-19-13-15(26)3-5-17(19)21-7-8-22(28-21)18-6-4-16(14-20(18)24)27-12-11-25-9-1-2-10-25/h3-8,13-14,26H,1-2,9-12H2
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| InChIKey |
BQFQWUAKWMYKAI-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