General Information of the Compound
| Compound ID |
CP0430686
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| Compound Name |
4-(4-Bromo-6,7-dimethoxy-1-oxo-1H-isoquinolin-2-yl)-N-methyl-butyramide
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| Structure |
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| Formula |
C16H19BrN2O4
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| Molecular Weight |
383.242
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| Canonical SMILES |
CNC(=O)CCCn1cc(Br)c2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C16H19BrN2O4/c1-18-15(20)5-4-6-19-9-12(17)10-7-13(22-2)14(23-3)8-11(10)16(19)21/h7-9H,4-6H2,1-3H3,(H,18,20)
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| InChIKey |
SLKMMTRKAOQUMS-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