General Information of the Compound
| Compound ID |
CP0870789
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| Compound Name |
4-(3-Trifluoromethylphenyl)-1,2,3,6-tetrahydropyridinium chloride
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| Structure |
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| Formula |
C12H13ClF3N
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| Molecular Weight |
263.69
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| Canonical SMILES |
Cl.FC(F)(F)c1cccc(C2=CCNCC2)c1
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| InChI |
InChI=1S/C12H12F3N.ClH/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9;/h1-4,8,16H,5-7H2;1H
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| InChIKey |
RJFISGALWPADNA-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