General Information of the Compound
| Compound ID |
CP0456761
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| Compound Name |
4,4,4-trifluoro-1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C18H20F3N3O2
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| Molecular Weight |
367.371
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| Canonical SMILES |
Cc1cccc(c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
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| InChI |
InChI=1S/C18H20F3N3O2/c1-12-3-2-4-14(11-12)16-22-17(26-23-16)13-6-9-24(10-7-13)15(25)5-8-18(19,20)21/h2-4,11,13H,5-10H2,1H3
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| InChIKey |
KXPTVVZSZLPPMQ-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