General Information of the Compound
| Compound ID |
CP0428333
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| Compound Name |
1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C27H30N2O
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| Molecular Weight |
398.55
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
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| InChI |
InChI=1S/C27H30N2O/c1-28-16-13-21(14-17-28)20-7-9-22(10-8-20)27-26-12-11-25(30)19-23(26)15-18-29(27)24-5-3-2-4-6-24/h2-12,19,21,27,30H,13-18H2,1H3
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| InChIKey |
NKJJSGYHJDTRAX-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