General Information of the Compound
| Compound ID |
CP0248113
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| Compound Name |
6-(5-methyl-3-oxo-4-phenyl-1H-pyrazol-2-yl)-1H-pyridazin-4-one
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| Structure |
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| Formula |
C14H12N4O2
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| Molecular Weight |
268.276
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| Canonical SMILES |
Cc1[nH]n(-c2cc(O)cnn2)c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C14H12N4O2/c1-9-13(10-5-3-2-4-6-10)14(20)18(17-9)12-7-11(19)8-15-16-12/h2-8,17H,1H3,(H,16,19)
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| InChIKey |
UZLARJPEQNKLOS-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