General Information of the Compound
| Compound ID |
CP0375362
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| Compound Name |
2,2,2-Trifluoro-1-{6-hydroxy-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-3,4-dihydro-1H-isoquinolin-2-yl}-ethanone
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| Structure |
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| Formula |
C23H25F3N2O3
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| Molecular Weight |
434.458
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)C(=O)C(F)(F)F)c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C23H25F3N2O3/c24-23(25,26)22(30)28-12-9-17-15-18(29)5-8-20(17)21(28)16-3-6-19(7-4-16)31-14-13-27-10-1-2-11-27/h3-8,15,21,29H,1-2,9-14H2
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| InChIKey |
PROUHBZGWQMIIU-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