General Information of the Compound
| Compound ID |
CP0456932
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| Compound Name |
N-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]acetamide
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| Structure |
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| Formula |
C18H16FN3O3S
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| Molecular Weight |
373.409
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| Canonical SMILES |
CC(=O)Nc1cc(-c2ccc(cc2)S(C)(=O)=O)n(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H16FN3O3S/c1-12(23)20-18-11-17(13-3-9-16(10-4-13)26(2,24)25)22(21-18)15-7-5-14(19)6-8-15/h3-11H,1-2H3,(H,20,21,23)
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| InChIKey |
WWKRAFMFFKHIMZ-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
Protein ID: PT02562, Membrane primary amine oxidase
Protein ID: PT03817, Membrane primary amine oxidase