General Information of the Compound
| Compound ID |
CP0415517
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| Compound Name |
2-[5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentylsulfamoyl]benzoic acid
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| Structure |
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| Formula |
C24H22N2O6S
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| Molecular Weight |
466.515
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| Canonical SMILES |
OC(=O)c1ccccc1S(=O)(=O)NCCCCCN1C(=O)c2cccc3cccc(C1=O)c23
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| InChI |
InChI=1S/C24H22N2O6S/c27-22-18-11-6-8-16-9-7-12-19(21(16)18)23(28)26(22)15-5-1-4-14-25-33(31,32)20-13-3-2-10-17(20)24(29)30/h2-3,6-13,25H,1,4-5,14-15H2,(H,29,30)
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| InChIKey |
NAPRNXJZZCBCEH-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