General Information of the Compound
| Compound ID |
CP0469152
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| Compound Name |
1-(2,4-difluorophenoxy)-6-methoxyisoquinoline
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| Structure |
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| Formula |
C16H11F2NO2
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| Molecular Weight |
287.265
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| Canonical SMILES |
COc1ccc2c(Oc3ccc(F)cc3F)nccc2c1
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| InChI |
InChI=1S/C16H11F2NO2/c1-20-12-3-4-13-10(8-12)6-7-19-16(13)21-15-5-2-11(17)9-14(15)18/h2-9H,1H3
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| InChIKey |
DJYLSUHLHQFDOE-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