General Information of the Compound
| Compound ID |
CP0524033
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| Compound Name |
2-tert-butoxy-4-(4-(methylsulfonyl)phenyl)-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C16H17F3N2O3S
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| Molecular Weight |
374.384
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| Canonical SMILES |
CC(C)(C)Oc1nc(cc(n1)C(F)(F)F)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C16H17F3N2O3S/c1-15(2,3)24-14-20-12(9-13(21-14)16(17,18)19)10-5-7-11(8-6-10)25(4,22)23/h5-9H,1-4H3
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| InChIKey |
JMHYAXLRTPAZFX-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