General Information of the Compound
| Compound ID |
CP0875656
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| Compound Name |
3-(2-Methyl-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-4-(2-methyl-4-hydroxylphenyl)selenophene
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| Structure |
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| Formula |
C24H27NO2Se
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| Molecular Weight |
440.445
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| Canonical SMILES |
Cc1cc(O)ccc1-c1c[se]cc1-c1ccc(OCCN2CCCC2)cc1C
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| InChI |
InChI=1S/C24H27NO2Se/c1-17-13-19(26)5-7-21(17)23-15-28-16-24(23)22-8-6-20(14-18(22)2)27-12-11-25-9-3-4-10-25/h5-8,13-16,26H,3-4,9-12H2,1-2H3
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| InChIKey |
XLDRAVHUWZLTID-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