General Information of the Compound
| Compound ID |
CP0445992
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| Compound Name |
N-[1-[(3-acetamidophenyl)methyl]piperidin-4-yl]-7-fluoro-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C24H24FN3O4
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| Molecular Weight |
437.471
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| Canonical SMILES |
CC(=O)Nc1cccc(CN2CCC(CC2)NC(=O)c2cc(=O)c3ccc(F)cc3o2)c1
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| InChI |
InChI=1S/C24H24FN3O4/c1-15(29)26-19-4-2-3-16(11-19)14-28-9-7-18(8-10-28)27-24(31)23-13-21(30)20-6-5-17(25)12-22(20)32-23/h2-6,11-13,18H,7-10,14H2,1H3,(H,26,29)(H,27,31)
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| InChIKey |
QNCNYSGUYPUZKJ-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