General Information of the Compound
| Compound ID |
CP0013501
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| Compound Name |
N-hydroxy-6-(6-morpholin-4-yl-1,3-dioxobenzo[de]isoquinolin-2-yl)hexanamide
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| Structure |
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| Formula |
C22H25N3O5
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| Molecular Weight |
411.458
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| Canonical SMILES |
ONC(=O)CCCCCN1C(=O)c2cccc3c(ccc(C1=O)c23)N1CCOCC1
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| InChI |
InChI=1S/C22H25N3O5/c26-19(23-29)7-2-1-3-10-25-21(27)16-6-4-5-15-18(24-11-13-30-14-12-24)9-8-17(20(15)16)22(25)28/h4-6,8-9,29H,1-3,7,10-14H2,(H,23,26)
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| InChIKey |
AIUHSHXJFPMLPM-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6