General Information of the Compound
| Compound ID |
CP0384687
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| Compound Name |
2-(2-Fluorophenyl)-4,4-dimethylisoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C17H14FNO2
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| Molecular Weight |
283.302
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| Canonical SMILES |
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccccc1F
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| InChI |
InChI=1S/C17H14FNO2/c1-17(2)12-8-4-3-7-11(12)15(20)19(16(17)21)14-10-6-5-9-13(14)18/h3-10H,1-2H3
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| InChIKey |
UPHYFQLVSIFNMD-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