General Information of the Compound
| Compound ID |
CP0456764
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| Compound Name |
4,4,4-trifluoro-1-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
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| Structure |
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| Formula |
C16H18F3N3OS
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| Molecular Weight |
357.401
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| Canonical SMILES |
FC(F)(F)CCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
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| InChI |
InChI=1S/C16H18F3N3OS/c17-16(18,19)6-3-15(23)22-7-4-11(5-8-22)12-10-13(21-20-12)14-2-1-9-24-14/h1-2,9-11H,3-8H2,(H,20,21)
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| InChIKey |
QSUMSPVJQLDSJK-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