General Information of the Compound
| Compound ID |
CP0457430
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| Compound Name |
N-[(4-methylphenyl)methyl]-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C20H18F3N3O2S
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| Molecular Weight |
421.444
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| Canonical SMILES |
Cc1ccc(CNc2nc(cc(n2)C(F)(F)F)-c2ccc(cc2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C20H18F3N3O2S/c1-13-3-5-14(6-4-13)12-24-19-25-17(11-18(26-19)20(21,22)23)15-7-9-16(10-8-15)29(2,27)28/h3-11H,12H2,1-2H3,(H,24,25,26)
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| InChIKey |
SOVUYZOWFFJUCQ-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