General Information of the Compound
| Compound ID |
CP0492881
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| Compound Name |
2-methoxy-8-({6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
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| Structure |
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| Formula |
C21H14F3N3O2
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| Molecular Weight |
397.356
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| Canonical SMILES |
COc1ccc2cccc(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C21H14F3N3O2/c1-28-18-10-7-14-3-2-4-17(20(14)27-18)29-19-11-16(25-12-26-19)13-5-8-15(9-6-13)21(22,23)24/h2-12H,1H3
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| InChIKey |
FSYUCUUPKZTXOP-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