General Information of the Compound
| Compound ID |
CP0429086
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| Compound Name |
2-methylsulfonyl-4-(3-phenoxyphenyl)-6-(trifluoromethyl)pyrimidine
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| Structure |
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| Formula |
C18H13F3N2O3S
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| Molecular Weight |
394.374
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| Canonical SMILES |
CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C18H13F3N2O3S/c1-27(24,25)17-22-15(11-16(23-17)18(19,20)21)12-6-5-9-14(10-12)26-13-7-3-2-4-8-13/h2-11H,1H3
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| InChIKey |
FRHDJAMUMTUFQX-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