General Information of the Compound
| Compound ID |
CP0867388
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| Compound Name |
4-(2,3-Dimethylphenyl)piperidinium chloride
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| Structure |
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| Formula |
C13H20ClN
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| Molecular Weight |
225.763
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| Canonical SMILES |
Cc1cccc(C2CCNCC2)c1C.Cl
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| InChI |
InChI=1S/C13H19N.ClH/c1-10-4-3-5-13(11(10)2)12-6-8-14-9-7-12;/h3-5,12,14H,6-9H2,1-2H3;1H
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| InChIKey |
IVAIIEOFJOMKTB-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