General Information of the Compound
| Compound ID |
CP0950356
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| Compound Name |
6-(2-(pyridin-2-yl)-6-((2,3,4-trifluorophenoxy)methyl)pyrimidin-4-yl)-1-oxa-6-azaspiro[3.3]heptane
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| Structure |
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| Formula |
C21H17F3N4O2
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| Molecular Weight |
414.387
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| Canonical SMILES |
Fc1ccc(OCc2cc(N3CC4(CCO4)C3)nc(-c3ccccn3)n2)c(F)c1F
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| InChI |
InChI=1S/C21H17F3N4O2/c22-14-4-5-16(19(24)18(14)23)29-10-13-9-17(28-11-21(12-28)6-8-30-21)27-20(26-13)15-3-1-2-7-25-15/h1-5,7,9H,6,8,10-12H2
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| InChIKey |
PRWMZIKGJGLESV-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