General Information of the Compound
| Compound ID |
CP0536795
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| Compound Name |
5-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-pentanoic acid ethyl ester
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| Structure |
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| Formula |
C18H23NO5
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| Molecular Weight |
333.384
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| Canonical SMILES |
CCOC(=O)CCCCn1ccc2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C18H23NO5/c1-4-24-17(20)7-5-6-9-19-10-8-13-11-15(22-2)16(23-3)12-14(13)18(19)21/h8,10-12H,4-7,9H2,1-3H3
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| InChIKey |
MRSGYJXFWISKJV-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