General Information of the Compound
| Compound ID |
CP0520621
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| Compound Name |
4,4,4-trifluoro-1-[4-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C15H16F3N3O2S
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| Molecular Weight |
359.373
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1noc(n1)-c1cccs1
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| InChI |
InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)13-19-14(23-20-13)11-2-1-9-24-11/h1-2,9-10H,3-8H2
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| InChIKey |
HNRKAZGCQPCXEI-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