General Information of the Compound
| Compound ID |
CP0004369
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| Compound Name |
8-methoxy-4-methyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-4-ium;iodide
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| Structure |
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| Formula |
C14H20INO
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| Molecular Weight |
345.224
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| Canonical SMILES |
[I-].COc1ccc2C3CCC[N+]3(C)CCc2c1
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| InChI |
InChI=1S/C14H20NO.HI/c1-15-8-3-4-14(15)13-6-5-12(16-2)10-11(13)7-9-15;/h5-6,10,14H,3-4,7-9H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
KOLCADRWYFMZFP-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