General Information of the Compound
| Compound ID |
CP0013494
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| Compound Name |
6-[6-(benzylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]-N-hydroxyhexanamide
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| Structure |
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| Formula |
C25H25N3O4
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| Molecular Weight |
431.492
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| Canonical SMILES |
ONC(=O)CCCCCN1C(=O)c2cccc3c(NCc4ccccc4)ccc(C1=O)c23
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| InChI |
InChI=1S/C25H25N3O4/c29-22(27-32)12-5-2-6-15-28-24(30)19-11-7-10-18-21(14-13-20(23(18)19)25(28)31)26-16-17-8-3-1-4-9-17/h1,3-4,7-11,13-14,26,32H,2,5-6,12,15-16H2,(H,27,29)
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| InChIKey |
PFADLOXEKLDOIQ-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