General Information of the Compound
| Compound ID |
CP0008598
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| Compound Name |
2-benzyl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;bromide
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| Structure |
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| Formula |
C19H24BrNO2
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| Molecular Weight |
378.31
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| Canonical SMILES |
[Br-].COc1cc2CC[N+](C)(Cc3ccccc3)Cc2cc1OC
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| InChI |
InChI=1S/C19H24NO2.BrH/c1-20(13-15-7-5-4-6-8-15)10-9-16-11-18(21-2)19(22-3)12-17(16)14-20;/h4-8,11-12H,9-10,13-14H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
MBNZUNQPEQKJJH-UHFFFAOYSA-M
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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