General Information of the Compound
| Compound ID |
CP0455579
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| Compound Name |
(E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenyl]-N,N-dimethyl-acrylamide
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| Structure |
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| Formula |
C26H26N2O2
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| Molecular Weight |
398.506
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| Canonical SMILES |
CN(C)C(=O)\C=C\c1ccc(cc1)N1CCc2cc(O)ccc2C1c1ccccc1
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| InChI |
InChI=1S/C26H26N2O2/c1-27(2)25(30)15-10-19-8-11-22(12-9-19)28-17-16-21-18-23(29)13-14-24(21)26(28)20-6-4-3-5-7-20/h3-15,18,26,29H,16-17H2,1-2H3/b15-10+
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| InChIKey |
WJZVLVHBFUHGTK-XNTDXEJSSA-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