General Information of the Compound
| Compound ID |
CP0415350
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| Compound Name |
4-(6,7-Diacetoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C19H21NO7
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| Molecular Weight |
375.377
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| Canonical SMILES |
CCOC(=O)CCCn1ccc2cc(OC(C)=O)c(OC(C)=O)cc2c1=O
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| InChI |
InChI=1S/C19H21NO7/c1-4-25-18(23)6-5-8-20-9-7-14-10-16(26-12(2)21)17(27-13(3)22)11-15(14)19(20)24/h7,9-11H,4-6,8H2,1-3H3
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| InChIKey |
CPRRVBYQFGGSAS-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