General Information of the Compound
| Compound ID |
CP0422086
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| Compound Name |
2-(4-fluorobenzyl)-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidine
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| Structure |
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| Formula |
C24H18F2N2O2S
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| Molecular Weight |
436.483
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccc(F)cc2)nc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H18F2N2O2S/c1-31(29,30)21-12-6-17(7-13-21)22-15-27-23(14-16-2-8-19(25)9-3-16)28-24(22)18-4-10-20(26)11-5-18/h2-13,15H,14H2,1H3
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| InChIKey |
IHVOKFSTLXFPQC-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