General Information of the Compound
| Compound ID |
CP0949630
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| Compound Name |
13-(3,5-Dimethoxy-benzyl)-9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride
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| Structure |
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| Formula |
C29H28ClNO6
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| Molecular Weight |
521.997
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| Canonical SMILES |
COc1cc(Cc2c3[n+](cc4c(OC)c(OC)ccc24)CCc2cc4c(cc2-3)OCO4)cc(OC)c1.[Cl-]
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| InChI |
InChI=1S/C29H28NO6.ClH/c1-31-19-9-17(10-20(13-19)32-2)11-23-21-5-6-25(33-3)29(34-4)24(21)15-30-8-7-18-12-26-27(36-16-35-26)14-22(18)28(23)30;/h5-6,9-10,12-15H,7-8,11,16H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
BWSIJTDBBMJDQC-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