General Information of the Compound
| Compound ID |
CP0502865
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| Compound Name |
4,4,4-trifluoro-1-[4-(3-pyridin-2-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)-c1ccccn1
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| InChI |
InChI=1S/C16H17F3N4O2/c17-16(18,19)7-4-13(24)23-9-5-11(6-10-23)15-21-14(22-25-15)12-3-1-2-8-20-12/h1-3,8,11H,4-7,9-10H2
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| InChIKey |
HTWIJDNUOXQWNR-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