General Information of the Compound
| Compound ID |
CP0508799
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| Compound Name |
6-(3-fluoro-4-methoxyphenyl)-4H-isoquinoline-1,3-dione
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| Structure |
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| Formula |
C16H12FNO3
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| Molecular Weight |
285.274
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| Canonical SMILES |
COc1ccc(cc1F)-c1ccc2C(=O)NC(=O)Cc2c1
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| InChI |
InChI=1S/C16H12FNO3/c1-21-14-5-3-10(7-13(14)17)9-2-4-12-11(6-9)8-15(19)18-16(12)20/h2-7H,8H2,1H3,(H,18,19,20)
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| InChIKey |
RCFOUCINYCWWOS-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