General Information of the Compound
| Compound ID |
CP0943098
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| Compound Name |
5-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C18H15ClF3NO2
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| Molecular Weight |
369.77
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| Canonical SMILES |
CN1CCc2c(COc3ccc(C(F)(F)F)cc3Cl)cccc2C1=O
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| InChI |
InChI=1S/C18H15ClF3NO2/c1-23-8-7-13-11(3-2-4-14(13)17(23)24)10-25-16-6-5-12(9-15(16)19)18(20,21)22/h2-6,9H,7-8,10H2,1H3
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| InChIKey |
GVGQKEYGBLZCFF-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