General Information of the Compound
| Compound ID |
CP0953264
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| Compound Name |
2-(3-((2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidin-4-yloxy)methyl)oxetan-3-yl)acetonitrile
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| Structure |
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| Formula |
C22H17F3N4O3
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| Molecular Weight |
442.397
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| Canonical SMILES |
N#CCC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1
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| InChI |
InChI=1S/C22H17F3N4O3/c23-15-4-5-17(20(25)19(15)24)31-10-14-9-18(32-13-22(6-7-26)11-30-12-22)29-21(28-14)16-3-1-2-8-27-16/h1-5,8-9H,6,10-13H2
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| InChIKey |
FFAFWXBFMSYLGR-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