General Information of the Compound
| Compound ID |
CP0302229
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| Compound Name |
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-nitrofuran-2-carboxamide
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| Structure |
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| Formula |
C17H19N3O5
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| Molecular Weight |
345.355
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| Canonical SMILES |
OCC1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H19N3O5/c21-11-12-7-9-19(10-8-12)14-4-2-1-3-13(14)18-17(22)15-5-6-16(25-15)20(23)24/h1-6,12,21H,7-11H2,(H,18,22)
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| InChIKey |
GXDBMNMCRHJVBM-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