General Information of the Compound
| Compound ID |
CP0498243
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| Compound Name |
4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-N-methyl-butyramide
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| Structure |
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| Formula |
C16H20N2O4
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| Molecular Weight |
304.346
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| Canonical SMILES |
CNC(=O)CCCn1ccc2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C16H20N2O4/c1-17-15(19)5-4-7-18-8-6-11-9-13(21-2)14(22-3)10-12(11)16(18)20/h6,8-10H,4-5,7H2,1-3H3,(H,17,19)
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| InChIKey |
FWEHNFIOGJMNFF-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