General Information of the Compound
| Compound ID |
CP0109218
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| Compound Name |
N-[2-(4-methylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
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| Structure |
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| Formula |
C16H18N4O4
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| Molecular Weight |
330.344
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| Canonical SMILES |
CN1CCN(CC1)c1ccccc1NC(=O)c1ccc(o1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H18N4O4/c1-18-8-10-19(11-9-18)13-5-3-2-4-12(13)17-16(21)14-6-7-15(24-14)20(22)23/h2-7H,8-11H2,1H3,(H,17,21)
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| InChIKey |
ICWQOMBLDBHQHC-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
Protein ID: PT06109, Geminin
Protein ID: PT01008, Macrophage colony-stimulating factor 1 receptor