General Information of the Compound
| Compound ID |
CP0475144
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| Compound Name |
3-((dimethylamino)methyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one
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| Structure |
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| Formula |
C20H22N2O2
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| Molecular Weight |
322.408
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| Canonical SMILES |
COc1ccc2c(c1)c(-c1ccccc1)c(CN(C)C)n(C)c2=O
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| InChI |
InChI=1S/C20H22N2O2/c1-21(2)13-18-19(14-8-6-5-7-9-14)17-12-15(24-4)10-11-16(17)20(23)22(18)3/h5-12H,13H2,1-4H3
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| InChIKey |
LLVZWOQXOBNOLZ-UHFFFAOYSA-N
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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