General Information of the Compound
| Compound ID |
CP0868040
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| Compound Name |
4-(3-methyl-3-(methylsulfonylmethyl)azetidin-1-yl)-2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidine
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| Structure |
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| Formula |
C22H21F3N4O3S
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| Molecular Weight |
478.496
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| Canonical SMILES |
CC1(CS(C)(=O)=O)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1
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| InChI |
InChI=1S/C22H21F3N4O3S/c1-22(13-33(2,30)31)11-29(12-22)18-9-14(27-21(28-18)16-5-3-4-8-26-16)10-32-17-7-6-15(23)19(24)20(17)25/h3-9H,10-13H2,1-2H3
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| InChIKey |
KFZWFMBUHXGOIP-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