General Information of the Compound
| Compound ID |
CP0461768
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| Compound Name |
3-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
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| Structure |
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| Formula |
C20H12F3N3O
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| Molecular Weight |
367.33
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1cc(Oc2cnc3ccccc3c2)ncn1
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| InChI |
InChI=1S/C20H12F3N3O/c21-20(22,23)15-7-5-13(6-8-15)18-10-19(26-12-25-18)27-16-9-14-3-1-2-4-17(14)24-11-16/h1-12H
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| InChIKey |
QFAWXBAAZMAAPR-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