General Information of the Compound
| Compound ID |
CP0636471
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| Compound Name |
7-Hydroxy-2,2-dimethyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium iodide
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| Structure |
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| Formula |
C12H18INO2
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| Molecular Weight |
335.185
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| Canonical SMILES |
COc1cc2c(cc1O)C[N+](C)(C)CC2.[I-]
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| InChI |
InChI=1S/C12H17NO2.HI/c1-13(2)5-4-9-7-12(15-3)11(14)6-10(9)8-13;/h6-7H,4-5,8H2,1-3H3;1H
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| InChIKey |
XTWKDSQNKGNFKA-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