General Information of the Compound
| Compound ID |
CP0533549
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| Compound Name |
4-phenoxy-N-[5-(trifluoromethyl)pyridin-2-yl]butanamide
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| Structure |
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| Formula |
C16H15F3N2O2
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| Molecular Weight |
324.302
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)CCCOc2ccccc2)nc1
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| InChI |
InChI=1S/C16H15F3N2O2/c17-16(18,19)12-8-9-14(20-11-12)21-15(22)7-4-10-23-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21,22)
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| InChIKey |
GQXJWIPRHFHVMT-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