General Information of the Compound
| Compound ID |
CP0449698
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| Compound Name |
3-[4-(4-Nitro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid amide
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| Structure |
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| Formula |
C16H12N4O4
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| Molecular Weight |
324.296
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| Canonical SMILES |
NC(=O)n1ccc(n1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C16H12N4O4/c17-16(21)19-10-9-15(18-19)11-1-5-13(6-2-11)24-14-7-3-12(4-8-14)20(22)23/h1-10H,(H2,17,21)
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| InChIKey |
TXAVIYCBJUQLRV-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