General Information of the Compound
| Compound ID |
CP0085178
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| Compound Name |
5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C15H12N4O3
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| Molecular Weight |
296.286
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| Canonical SMILES |
Cc1[nH]n(-c2ccccn2)c(=O)c1-c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H12N4O3/c1-10-14(11-5-7-12(8-6-11)19(21)22)15(20)18(17-10)13-4-2-3-9-16-13/h2-9,17H,1H3
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| InChIKey |
BYIOHGHRIIBJDM-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