General Information of the Compound
| Compound ID |
CP0456758
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| Compound Name |
4,4,4-trifluoro-1-[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C16H18F3N3O2S
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| Molecular Weight |
373.4
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(Cc2cccs2)no1
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| InChI |
InChI=1S/C16H18F3N3O2S/c17-16(18,19)6-3-14(23)22-7-4-11(5-8-22)15-20-13(21-24-15)10-12-2-1-9-25-12/h1-2,9,11H,3-8,10H2
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| InChIKey |
ZAAYQIWMYSIIMR-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