General Information of the Compound
| Compound ID |
CP0492581
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| Compound Name |
2-benzyl-4-(4-fluorophenyl)-5-(4-(methylsulfonyl)phenyl)pyrimidine
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| Structure |
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| Formula |
C24H19FN2O2S
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| Molecular Weight |
418.493
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cnc(Cc2ccccc2)nc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H19FN2O2S/c1-30(28,29)21-13-9-18(10-14-21)22-16-26-23(15-17-5-3-2-4-6-17)27-24(22)19-7-11-20(25)12-8-19/h2-14,16H,15H2,1H3
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| InChIKey |
NPFBGJGIMZERER-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