General Information of the Compound
| Compound ID |
CP0428837
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| Compound Name |
2-(cyclohexylmethoxy)-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C19H21F3N2O3S
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| Molecular Weight |
414.449
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)-c1cc(nc(OCC2CCCCC2)n1)C(F)(F)F
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| InChI |
InChI=1S/C19H21F3N2O3S/c1-28(25,26)15-9-7-14(8-10-15)16-11-17(19(20,21)22)24-18(23-16)27-12-13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3
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| InChIKey |
CXMNVVPEMHYESO-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