General Information of the Compound
| Compound ID |
CP0223086
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| Compound Name |
methanesulfonate;2,3,11,12-tetramethoxy-6,7-dihydro-5H-isoquinolino[3,2-a][2]benzazepin-8-ium
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| Structure |
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| Formula |
C23H27NO7S
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| Molecular Weight |
461.536
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| Canonical SMILES |
CS([O-])(=O)=O.COc1cc2CCC[n+]3cc4cc(OC)c(OC)cc4cc3-c2cc1OC
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| InChI |
InChI=1S/C22H24NO4.CH4O3S/c1-24-19-9-14-6-5-7-23-13-16-11-21(26-3)20(25-2)10-15(16)8-18(23)17(14)12-22(19)27-4;1-5(2,3)4/h8-13H,5-7H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
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| InChIKey |
IUJMSUWTQOGMDX-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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