General Information of the Compound
| Compound ID |
CP0391060
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| Compound Name |
2-(3-hydroxyphenyl)-1-[4-(1-methylpiperidin-4-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
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| InChI |
InChI=1S/C27H30N2O2/c1-28-14-11-20(12-15-28)19-5-7-21(8-6-19)27-26-10-9-25(31)17-22(26)13-16-29(27)23-3-2-4-24(30)18-23/h2-10,17-18,20,27,30-31H,11-16H2,1H3
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| InChIKey |
WVGGRDFFTPHRGU-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