General Information of the Compound
| Compound ID |
CP0420445
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| Compound Name |
1-[6,7-dimethoxy-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
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| Structure |
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| Formula |
C20H20F3NO3
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| Molecular Weight |
379.378
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| Canonical SMILES |
COc1cc2CCN(C(c3ccc(cc3)C(F)(F)F)c2cc1OC)C(C)=O
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| InChI |
InChI=1S/C20H20F3NO3/c1-12(25)24-9-8-14-10-17(26-2)18(27-3)11-16(14)19(24)13-4-6-15(7-5-13)20(21,22)23/h4-7,10-11,19H,8-9H2,1-3H3
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| InChIKey |
HFTCWQYSSAMWOL-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