General Information of the Compound
| Compound ID |
CP0870393
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| Compound Name |
13-(2-Chloro-6-fluoro-benzyl)-9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride
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| Structure |
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| Formula |
C27H22Cl2FNO4
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| Molecular Weight |
514.38
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| Canonical SMILES |
COc1ccc2c(Cc3c(F)cccc3Cl)c3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2.[Cl-]
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| InChI |
InChI=1S/C27H22ClFNO4.ClH/c1-31-23-7-6-16-18(11-19-21(28)4-3-5-22(19)29)26-17-12-25-24(33-14-34-25)10-15(17)8-9-30(26)13-20(16)27(23)32-2;/h3-7,10,12-13H,8-9,11,14H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
BWOUPCMXMUWBQP-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