General Information of the Compound
| Compound ID |
CP0391422
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| Compound Name |
4-(4,5-Difluoro-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid ethyl ester
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| Structure |
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| Formula |
C17H19F2NO5
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| Molecular Weight |
355.337
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| Canonical SMILES |
CCOC(=O)CCCn1cc(F)c2c(F)c(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C17H19F2NO5/c1-4-25-13(21)6-5-7-20-9-11(18)14-10(17(20)22)8-12(23-2)16(24-3)15(14)19/h8-9H,4-7H2,1-3H3
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| InChIKey |
ULPMXVYRGBLNBO-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