General Information of the Compound
| Compound ID |
CP0867391
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| Compound Name |
4-(3-Chlorophenyl)piperidinium trifluoroacetate
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| Structure |
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| Formula |
C13H15ClF3NO2
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| Molecular Weight |
309.715
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| Canonical SMILES |
Clc1cccc(C2CCNCC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C11H14ClN.C2HF3O2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;3-2(4,5)1(6)7/h1-3,8-9,13H,4-7H2;(H,6,7)
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| InChIKey |
MWMXKEUTWQIWEG-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