General Information of the Compound
| Compound ID |
CP0880835
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| Compound Name |
9-(2,5-Dimethyl-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 |
C31H34INO4
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| Molecular Weight |
611.52
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| Canonical SMILES |
CCc1c2[n+](cc3c(OCc4cc(C)ccc4C)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
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| InChI |
InChI=1S/C31H34NO4.HI/c1-7-23-24-10-11-27(33-4)31(36-18-22-14-19(2)8-9-20(22)3)26(24)17-32-13-12-21-15-28(34-5)29(35-6)16-25(21)30(23)32;/h8-11,14-17H,7,12-13,18H2,1-6H3;1H/q+1;/p-1
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| InChIKey |
NRVHBOMBJHAKBY-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