General Information of the Compound
| Compound ID |
CP0541657
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| Compound Name |
N-[2-(azepin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
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| Structure |
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| Formula |
C17H13N3O4
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| Molecular Weight |
323.308
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| Canonical SMILES |
[O-][N+](=O)c1ccc(o1)C(=O)Nc1ccccc1N1C=CC=CC=C1
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| InChI |
InChI=1S/C17H13N3O4/c21-17(15-9-10-16(24-15)20(22)23)18-13-7-3-4-8-14(13)19-11-5-1-2-6-12-19/h1-12H,(H,18,21)
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| InChIKey |
PJKUAPADAKZPKK-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