General Information of the Compound
| Compound ID |
CP0012142
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| Compound Name |
N-(2-aminophenyl)-4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanoylamino]benzamide
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| Formula |
C30H28N6O6
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| Molecular Weight |
568.59
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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| InChI |
InChI=1S/C30H28N6O6/c31-20-6-1-2-7-21(20)34-27(39)17-10-12-18(13-11-17)33-24(37)9-4-16-32-22-8-3-5-19-26(22)30(42)36(29(19)41)23-14-15-25(38)35-28(23)40/h1-3,5-8,10-13,23,32H,4,9,14-16,31H2,(H,33,37)(H,34,39)(H,35,38,40)
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| InChIKey |
JDVCZYIRYRWVJK-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