General Information of the Compound
| Compound ID |
CP0914998
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| Compound Name |
13-(1-Iodo-butyl)-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 |
C24H25ClINO4
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| Molecular Weight |
553.824
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| Canonical SMILES |
CCCC(I)c1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3.[Cl-]
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| InChI |
InChI=1S/C24H25INO4.ClH/c1-4-5-18(25)22-15-6-7-19(27-2)24(28-3)17(15)12-26-9-8-14-10-20-21(30-13-29-20)11-16(14)23(22)26;/h6-7,10-12,18H,4-5,8-9,13H2,1-3H3;1H/q+1;/p-1
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| InChIKey |
OEVPTAOXAODSTF-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