General Information of the Compound
| Compound ID |
CP0917988
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| Compound Name |
9-(4,5-Dimethoxy-2-nitro-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 |
C31H33IN2O8
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| Molecular Weight |
688.515
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| Canonical SMILES |
CCc1c2[n+](cc3c(OCc4cc(OC)c(OC)cc4[N+](=O)[O-])c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2.[I-]
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| InChI |
InChI=1S/C31H33N2O8.HI/c1-7-20-21-8-9-25(36-2)31(41-17-19-13-27(38-4)29(40-6)15-24(19)33(34)35)23(21)16-32-11-10-18-12-26(37-3)28(39-5)14-22(18)30(20)32;/h8-9,12-16H,7,10-11,17H2,1-6H3;1H/q+1;/p-1
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| InChIKey |
LWBABUGPRCUZEH-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