General Information of the Compound
| Compound ID |
CP0875257
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| Compound Name |
4-(4-Bromophenyl)-1,2,3,6-tetrahydropyridinium chloride
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| Structure |
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| Formula |
C11H13BrClN
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| Molecular Weight |
274.589
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| Canonical SMILES |
Brc1ccc(C2=CCNCC2)cc1.Cl
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| InChI |
InChI=1S/C11H12BrN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H
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| InChIKey |
VEVVDEKVFXXXGT-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