General Information of the Compound
| Compound ID |
CP0480548
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| Compound Name |
2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butyl]-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid
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| Structure |
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| Formula |
C24H18N2O7S
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| Molecular Weight |
478.482
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| Canonical SMILES |
OC(=O)c1ccc2C(=O)N(CCCCN3C(=O)c4cccc5cccc(C3=O)c45)S(=O)(=O)c2c1
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| InChI |
InChI=1S/C24H18N2O7S/c27-21-17-7-3-5-14-6-4-8-18(20(14)17)22(28)25(21)11-1-2-12-26-23(29)16-10-9-15(24(30)31)13-19(16)34(26,32)33/h3-10,13H,1-2,11-12H2,(H,30,31)
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| InChIKey |
GTDWBWPQKMNPCR-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