General Information of the Compound
| Compound ID |
CP0428331
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| Compound Name |
1-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C27H31N3O
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| Molecular Weight |
413.565
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| Canonical SMILES |
CC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
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| InChI |
InChI=1S/C27H31N3O/c1-20-19-29(17-16-28(20)2)23-10-8-21(9-11-23)27-26-13-12-25(31)18-22(26)14-15-30(27)24-6-4-3-5-7-24/h3-13,18,20,27,31H,14-17,19H2,1-2H3
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| InChIKey |
XCYNCNLEMXFZEX-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