General Information of the Compound
| Compound ID |
CP0434267
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| Compound Name |
4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid
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| Structure |
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| Formula |
C15H17NO5
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| Molecular Weight |
291.303
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| Canonical SMILES |
COc1cc2ccn(CCCC(O)=O)c(=O)c2cc1OC
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| InChI |
InChI=1S/C15H17NO5/c1-20-12-8-10-5-7-16(6-3-4-14(17)18)15(19)11(10)9-13(12)21-2/h5,7-9H,3-4,6H2,1-2H3,(H,17,18)
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| InChIKey |
IHSQYGXLLZSXPW-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