General Information of the Compound
| Compound ID |
CP0109220
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| Compound Name |
N-[2-(3-methylpiperidin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
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| Structure |
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| Formula |
C17H19N3O4
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| Molecular Weight |
329.356
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| Canonical SMILES |
CC1CCCN(C1)c1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H19N3O4/c1-12-5-4-10-19(11-12)14-7-3-2-6-13(14)18-17(21)15-8-9-16(24-15)20(22)23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,18,21)
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| InChIKey |
GAKBUDJFUFUSED-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