General Information of the Compound
| Compound ID |
CP0853824
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| Compound Name |
3-(4-(2-(Piperidin-1-yl)ethoxy)phenyl)-2,5-bis(4-hydroxylphenyl)-selenophene
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| Structure |
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| Formula |
C29H29NO3Se
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| Molecular Weight |
518.515
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| Canonical SMILES |
Oc1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(O)cc3)[se]2)cc1
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| InChI |
InChI=1S/C29H29NO3Se/c31-24-10-4-22(5-11-24)28-20-27(29(34-28)23-6-12-25(32)13-7-23)21-8-14-26(15-9-21)33-19-18-30-16-2-1-3-17-30/h4-15,20,31-32H,1-3,16-19H2
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| InChIKey |
WNRBMAJMWVNBLB-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