General Information of the Compound
| Compound ID |
CP0533605
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| Compound Name |
4,4,4-trifluoro-1-[4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C18H20F3N3O3
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| Molecular Weight |
383.37
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| Canonical SMILES |
COc1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
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| InChI |
InChI=1S/C18H20F3N3O3/c1-26-14-5-3-2-4-13(14)16-22-17(27-23-16)12-7-10-24(11-8-12)15(25)6-9-18(19,20)21/h2-5,12H,6-11H2,1H3
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| InChIKey |
HMBKMRWGCDWUEY-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