General Information of the Compound
| Compound ID |
CP0415093
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| Compound Name |
methyl 2-fluoro-6-[3-fluoro-4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzoate
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| Structure |
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| Formula |
C19H17F2NO3
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| Molecular Weight |
345.345
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| Canonical SMILES |
COC(=O)c1c(F)cccc1-c1ccc(CN2CCCC2=O)c(F)c1
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| InChI |
InChI=1S/C19H17F2NO3/c1-25-19(24)18-14(4-2-5-15(18)20)12-7-8-13(16(21)10-12)11-22-9-3-6-17(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3
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| InChIKey |
FVKPQFZNARCFFB-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