General Information of the Compound
| Compound ID |
CP0538250
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| Compound Name |
4-(1-Oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C15H17NO3
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| Molecular Weight |
259.305
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| Canonical SMILES |
CCOC(=O)CCCn1ccc2ccccc2c1=O
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| InChI |
InChI=1S/C15H17NO3/c1-2-19-14(17)8-5-10-16-11-9-12-6-3-4-7-13(12)15(16)18/h3-4,6-7,9,11H,2,5,8,10H2,1H3
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| InChIKey |
JGZUVDLUCGJZID-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