General Information of the Compound
| Compound ID |
CP0872073
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| Compound Name |
2-(2-Methyl-4-(2-(piperidin-1-yl)ethoxy)phenyl)-5-(2-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(O)ccc1-c1ccc(-c2ccc(OCCN3CCCCC3)cc2C)[se]1
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| InChI |
InChI=1S/C25H29NO2Se/c1-18-16-20(27)6-8-22(18)24-10-11-25(29-24)23-9-7-21(17-19(23)2)28-15-14-26-12-4-3-5-13-26/h6-11,16-17,27H,3-5,12-15H2,1-2H3
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| InChIKey |
ZCDMMPPECKZMSK-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