General Information of the Compound
| Compound ID |
CP0636664
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| Compound Name |
2,2-Dimethyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium iodide
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| Structure |
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| Formula |
C12H18INO
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| Molecular Weight |
319.186
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| Canonical SMILES |
COc1ccc2c(c1)CC[N+](C)(C)C2.[I-]
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| InChI |
InChI=1S/C12H18NO.HI/c1-13(2)7-6-10-8-12(14-3)5-4-11(10)9-13;/h4-5,8H,6-7,9H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
YWASSVRYTISOMT-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