General Information of the Compound
| Compound ID |
CP0374707
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| Compound Name |
[3-[(3S)-1-ethylpiperidin-3-yl]phenyl] trifluoromethanesulfonate
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| Structure |
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| Formula |
C14H18F3NO3S
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| Molecular Weight |
337.363
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| Canonical SMILES |
CCN1CCC[C@H](C1)c1cccc(OS(=O)(=O)C(F)(F)F)c1
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| InChI |
InChI=1S/C14H18F3NO3S/c1-2-18-8-4-6-12(10-18)11-5-3-7-13(9-11)21-22(19,20)14(15,16)17/h3,5,7,9,12H,2,4,6,8,10H2,1H3/t12-/m1/s1
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| InChIKey |
JMGZFNUKIOOZSN-GFCCVEGCSA-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