General Information of the Compound
| Compound ID |
CP0502866
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| Compound Name |
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
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| Structure |
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| Formula |
C17H17ClF3N3O2
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| Molecular Weight |
387.789
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H17ClF3N3O2/c18-13-3-1-11(2-4-13)15-22-16(26-23-15)12-6-9-24(10-7-12)14(25)5-8-17(19,20)21/h1-4,12H,5-10H2
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| InChIKey |
HHIFUPYWAHXBMB-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