General Information of the Compound
| Compound ID |
CP0853827
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| Compound Name |
3-(3-Fluoro-4-(2-(piperidin-1-yl)ethoxy)phenyl)-4-(3-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(-c2c[se]cc2-c2ccc(OCCN3CCCCC3)c(F)c2)cc1F
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| InChI |
InChI=1S/C23H23F2NO2Se/c24-20-12-16(4-6-22(20)27)18-14-29-15-19(18)17-5-7-23(21(25)13-17)28-11-10-26-8-2-1-3-9-26/h4-7,12-15,27H,1-3,8-11H2
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| InChIKey |
CWJKNXVLAZLSEG-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