General Information of the Compound
| Compound ID |
CP0467085
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| Compound Name |
(E)-3-[4-(6-Hydroxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenyl]-1-morpholin-4-yl-propenone
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| Structure |
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| Formula |
C28H28N2O3
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| Molecular Weight |
440.543
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)c1ccc(\C=C\C(=O)N2CCOCC2)cc1)c1ccccc1
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| InChI |
InChI=1S/C28H28N2O3/c31-25-11-12-26-23(20-25)14-15-30(28(26)22-4-2-1-3-5-22)24-9-6-21(7-10-24)8-13-27(32)29-16-18-33-19-17-29/h1-13,20,28,31H,14-19H2/b13-8+
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| InChIKey |
AOQCXARLJLESBQ-MDWZMJQESA-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