General Information of the Compound
| Compound ID |
CP0513095
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| Compound Name |
4,4,4-trifluoro-1-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C18H19F3N2OS
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| Molecular Weight |
368.424
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(cs1)-c1ccccc1
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| InChI |
InChI=1S/C18H19F3N2OS/c19-18(20,21)9-6-16(24)23-10-7-14(8-11-23)17-22-15(12-25-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
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| InChIKey |
GGFAQAROOVLUGW-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