General Information of the Compound
| Compound ID |
CP0877314
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| Compound Name |
9-(3-Chloro-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 |
C29H29ClINO4
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| Molecular Weight |
617.911
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| Canonical SMILES |
CCc1c2[n+](cc3c(OCc4cccc(Cl)c4)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
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| InChI |
InChI=1S/C29H29ClNO4.HI/c1-5-21-22-9-10-25(32-2)29(35-17-18-7-6-8-20(30)13-18)24(22)16-31-12-11-19-14-26(33-3)27(34-4)15-23(19)28(21)31;/h6-10,13-16H,5,11-12,17H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
MTJVFWCADPDYKX-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