General Information of the Compound
| Compound ID |
CP0432429
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| Compound Name |
2,2,2-Trifluoro-1-(6-hydroxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone
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| Structure |
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| Formula |
C15H12F3NO2S
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| Molecular Weight |
327.327
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1cccs1
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| InChI |
InChI=1S/C15H12F3NO2S/c16-15(17,18)14(21)19-6-5-9-8-10(20)3-4-11(9)13(19)12-2-1-7-22-12/h1-4,7-8,13,20H,5-6H2
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| InChIKey |
FKFUTYQVRXYTBP-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