General Information of the Compound
| Compound ID |
CP0550885
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| Compound Name |
N-(4-methoxyphenyl)-1-[(4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
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| Formula |
C15H14N6O4
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| Molecular Weight |
342.315
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccn(Cn3cc(cn3)[N+]([O-])=O)n2)cc1
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| InChI |
InChI=1S/C15H14N6O4/c1-25-13-4-2-11(3-5-13)17-15(22)14-6-7-19(18-14)10-20-9-12(8-16-20)21(23)24/h2-9H,10H2,1H3,(H,17,22)
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| InChIKey |
XMMUVHJOMXLPNV-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