General Information of the Compound
| Compound ID |
CP0391567
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| Compound Name |
1-[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]-2-phenyl-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C28H33N3O
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| Molecular Weight |
427.592
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| Canonical SMILES |
CCN1CCN(CC1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
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| InChI |
InChI=1S/C28H33N3O/c1-3-29-17-18-30(20-21(29)2)24-11-9-22(10-12-24)28-27-14-13-26(32)19-23(27)15-16-31(28)25-7-5-4-6-8-25/h4-14,19,21,28,32H,3,15-18,20H2,1-2H3
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| InChIKey |
CQMHXNWJGFZDKE-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