General Information of the Compound
| Compound ID |
CP0523537
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| Compound Name |
4,4,4-trifluoro-1-[4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C18H17F6N3O2
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| Molecular Weight |
421.341
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C18H17F6N3O2/c19-17(20,21)7-4-14(28)27-8-5-11(6-9-27)16-25-15(26-29-16)12-2-1-3-13(10-12)18(22,23)24/h1-3,10-11H,4-9H2
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| InChIKey |
GBEQOINAQZHOSX-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