General Information of the Compound
| Compound ID |
CP0493504
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| Compound Name |
4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C17H20BrNO5
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| Molecular Weight |
398.253
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| Canonical SMILES |
CCOC(=O)CCCn1cc(Br)c2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C17H20BrNO5/c1-4-24-16(20)6-5-7-19-10-13(18)11-8-14(22-2)15(23-3)9-12(11)17(19)21/h8-10H,4-7H2,1-3H3
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| InChIKey |
KKAZUACSUHLBDV-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