General Information of the Compound
| Compound ID |
CP0880435
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| Compound Name |
3-(3-Methyl-4-(2-(piperidin-1-yl)ethoxy)phenyl)-4-(3-methyl-4-hydroxylphenyl)selenophene
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| Structure |
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| Formula |
C25H29NO2Se
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| Molecular Weight |
454.472
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| Canonical SMILES |
Cc1cc(-c2c[se]cc2-c2ccc(OCCN3CCCCC3)c(C)c2)ccc1O
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| InChI |
InChI=1S/C25H29NO2Se/c1-18-14-20(6-8-24(18)27)22-16-29-17-23(22)21-7-9-25(19(2)15-21)28-13-12-26-10-4-3-5-11-26/h6-9,14-17,27H,3-5,10-13H2,1-2H3
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| InChIKey |
SDEGACRGVVNXNY-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