General Information of the Compound
| Compound ID |
CP0396641
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| Compound Name |
5-tert-butyl-2-phenyl-4H-pyrazol-3-one
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| Structure |
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| Formula |
C13H16N2O
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| Molecular Weight |
216.284
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| Canonical SMILES |
CC(C)(C)C1=NN(C(=O)C1)c1ccccc1
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| InChI |
InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
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| InChIKey |
NOSULZKBEJXMKJ-UHFFFAOYSA-N
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| CAS |
6631-89-6
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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
Protein ID: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT05764, Protein-lysine 6-oxidase