General Information of the Compound
| Compound ID |
CP0872078
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| Compound Name |
3-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenyl)-2,5-bis(2-methyl-4-hydroxylphenyl)selenophene
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| Structure |
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| Formula |
C30H31NO3Se
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| Molecular Weight |
532.542
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| Canonical SMILES |
Cc1cc(O)ccc1-c1cc(-c2ccc(OCCN3CCCC3)cc2)c(-c2ccc(O)cc2C)[se]1
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| InChI |
InChI=1S/C30H31NO3Se/c1-20-17-23(32)7-11-26(20)29-19-28(30(35-29)27-12-8-24(33)18-21(27)2)22-5-9-25(10-6-22)34-16-15-31-13-3-4-14-31/h5-12,17-19,32-33H,3-4,13-16H2,1-2H3
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| InChIKey |
RKQDGFQKKXKXFD-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