General Information of the Compound
| Compound ID |
CP0013778
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| Compound Name |
6-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-hexanoic acid (2-amino-phenyl)-amide
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23
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| InChI |
InChI=1S/C24H23N3O3/c25-19-12-3-4-13-20(19)26-21(28)14-2-1-5-15-27-23(29)17-10-6-8-16-9-7-11-18(22(16)17)24(27)30/h3-4,6-13H,1-2,5,14-15,25H2,(H,26,28)
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| InChIKey |
JFSIFNLPOZYJPS-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