General Information of the Compound
| Compound ID |
CP0853826
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| Compound Name |
3-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)-4-(4-hydroxylphenyl)-selenophene
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| Structure |
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| Formula |
C22H23NO2Se
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| Molecular Weight |
412.391
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| Canonical SMILES |
Oc1ccc(-c2c[se]cc2-c2ccc(OCCN3CCCC3)cc2)cc1
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| InChI |
InChI=1S/C22H23NO2Se/c24-19-7-3-17(4-8-19)21-15-26-16-22(21)18-5-9-20(10-6-18)25-14-13-23-11-1-2-12-23/h3-10,15-16,24H,1-2,11-14H2
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| InChIKey |
VTQAMJCEEUYWBS-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