General Information of the Compound
| Compound ID |
CP0506250
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| Compound Name |
4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C17H21NO5
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| Molecular Weight |
319.357
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| Canonical SMILES |
CCOC(=O)CCCn1ccc2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C17H21NO5/c1-4-23-16(19)6-5-8-18-9-7-12-10-14(21-2)15(22-3)11-13(12)17(18)20/h7,9-11H,4-6,8H2,1-3H3
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| InChIKey |
PSUTYURXLHSYNC-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