General Information of the Compound
| Compound ID |
CP0926173
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| Compound Name |
9-(4-Benzyloxy-benzyloxy)-13-ethyl-2,3,10-trimethoxy-5,6-dihydro-isoquino[3,2-a]isoquinolinylium iodide
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| Structure |
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| Formula |
C36H36INO5
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| Molecular Weight |
689.59
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| Canonical SMILES |
CCc1c2[n+](cc3c(OCc4ccc(OCc5ccccc5)cc4)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
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| InChI |
InChI=1S/C36H36NO5.HI/c1-5-28-29-15-16-32(38-2)36(42-23-25-11-13-27(14-12-25)41-22-24-9-7-6-8-10-24)31(29)21-37-18-17-26-19-33(39-3)34(40-4)20-30(26)35(28)37;/h6-16,19-21H,5,17-18,22-23H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
HFNBMYWDQJLWCM-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