General Information of the Compound
| Compound ID |
CP0006653
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| Compound Name |
N-(2-aminophenyl)-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
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| Structure |
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| Formula |
C28H30N4O4
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| Molecular Weight |
486.572
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
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| InChI |
InChI=1S/C28H30N4O4/c29-22-9-3-4-10-23(22)30-25(33)11-2-1-5-14-32-27(34)20-8-6-7-19-24(31-15-17-36-18-16-31)13-12-21(26(19)20)28(32)35/h3-4,6-10,12-13H,1-2,5,11,14-18,29H2,(H,30,33)
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| InChIKey |
ODOKPTUWMSGFKA-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