General Information of the Compound
| Compound ID |
CP0933149
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| Compound Name |
9-(4-tert-Butyl-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 |
C33H38INO4
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| Molecular Weight |
639.574
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| Canonical SMILES |
CCc1c2[n+](cc3c(OCc4ccc(C(C)(C)C)cc4)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
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| InChI |
InChI=1S/C33H38NO4.HI/c1-8-24-25-13-14-28(35-5)32(38-20-21-9-11-23(12-10-21)33(2,3)4)27(25)19-34-16-15-22-17-29(36-6)30(37-7)18-26(22)31(24)34;/h9-14,17-19H,8,15-16,20H2,1-7H3;1H/q+1;/p-1
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| InChIKey |
ACYSRIHIECPKOX-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