General Information of the Compound
| Compound ID |
CP0854378
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| Compound Name |
3-(2-Chloro-4-(2-(piperidin-1-yl)ethoxy)phenyl)-4-(2-chloro-4-hydroxylphenyl)selenophene
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| Structure |
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| Formula |
C23H23Cl2NO2Se
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| Molecular Weight |
495.308
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| Canonical SMILES |
Oc1ccc(-c2c[se]cc2-c2ccc(OCCN3CCCCC3)cc2Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H23Cl2NO2Se/c24-22-12-16(27)4-6-18(22)20-14-29-15-21(20)19-7-5-17(13-23(19)25)28-11-10-26-8-2-1-3-9-26/h4-7,12-15,27H,1-3,8-11H2
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| InChIKey |
IEEKNLDOQSPYEQ-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