General Information of the Compound
| Compound ID |
CP0015290
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| Compound Name |
N-(2-aminophenyl)-4-[6-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexanoylamino]benzamide
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| Formula |
C32H32N6O6
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| Molecular Weight |
596.644
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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| InChI |
InChI=1S/C32H32N6O6/c33-22-8-3-4-9-23(22)36-29(41)19-12-14-20(15-13-19)35-26(39)11-2-1-5-18-34-24-10-6-7-21-28(24)32(44)38(31(21)43)25-16-17-27(40)37-30(25)42/h3-4,6-10,12-15,25,34H,1-2,5,11,16-18,33H2,(H,35,39)(H,36,41)(H,37,40,42)
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| InChIKey |
PZFYWPRLDKIIHM-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