General Information of the Compound
| Compound ID |
CP0533603
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| Compound Name |
4,4,4-trifluoro-1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C16H17F3N4O2
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| Molecular Weight |
354.332
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccnc1
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| InChI |
InChI=1S/C16H17F3N4O2/c17-16(18,19)6-3-13(24)23-8-4-11(5-9-23)15-21-14(22-25-15)12-2-1-7-20-10-12/h1-2,7,10-11H,3-6,8-9H2
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| InChIKey |
XVFUJUMUKRPTOD-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