General Information of the Compound
| Compound ID |
CP0075130
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| Compound Name |
5-methyl-4-phenyl-2-pyrimidin-2-yl-1H-pyrazol-3-one
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| Structure |
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| Formula |
C14H12N4O
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| Molecular Weight |
252.277
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| Canonical SMILES |
Cc1[nH]n(-c2ncccn2)c(=O)c1-c1ccccc1
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| InChI |
InChI=1S/C14H12N4O/c1-10-12(11-6-3-2-4-7-11)13(19)18(17-10)14-15-8-5-9-16-14/h2-9,17H,1H3
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| InChIKey |
GOAPBOBWFQZZLE-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