General Information of the Compound
| Compound ID |
CP0427144
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| Compound Name |
3-[(5-cyano-3-fluoro)phenoxymethyl]-1-(4-methanesulfonylphenyl)-5-phenyl-1H-pyrazole
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| Structure |
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| Formula |
C24H18FN3O3S
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| Molecular Weight |
447.491
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-n1nc(COc2cc(F)cc(c2)C#N)cc1-c1ccccc1
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| InChI |
InChI=1S/C24H18FN3O3S/c1-32(29,30)23-9-7-21(8-10-23)28-24(18-5-3-2-4-6-18)14-20(27-28)16-31-22-12-17(15-26)11-19(25)13-22/h2-14H,16H2,1H3
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| InChIKey |
QZDHBGDHOYXBBJ-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: PT00940, Prostaglandin G/H synthase 1
Protein ID: PT00901, Prostaglandin G/H synthase 2