General Information of the Compound
| Compound ID |
CP0557414
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| Compound Name |
4-(4-ethoxypyrimidin-5-yl)-1-(2,2,2-trifluoroethyl)benzimidazole
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| Structure |
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| Formula |
C15H13F3N4O
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| Molecular Weight |
322.29
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| Canonical SMILES |
CCOc1ncncc1-c1cccc2n(CC(F)(F)F)cnc12
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| InChI |
InChI=1S/C15H13F3N4O/c1-2-23-14-11(6-19-8-20-14)10-4-3-5-12-13(10)21-9-22(12)7-15(16,17)18/h3-6,8-9H,2,7H2,1H3
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| InChIKey |
MYGRSEGEONREBO-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