General Information of the Compound
| Compound ID |
CP0013434
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| Compound Name |
N-(2-aminophenyl)-4-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentanoylamino]benzamide
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| Formula |
C31H30N6O6
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| Molecular Weight |
582.617
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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| InChI |
InChI=1S/C31H30N6O6/c32-21-7-1-2-8-22(21)35-28(40)18-11-13-19(14-12-18)34-25(38)10-3-4-17-33-23-9-5-6-20-27(23)31(43)37(30(20)42)24-15-16-26(39)36-29(24)41/h1-2,5-9,11-14,24,33H,3-4,10,15-17,32H2,(H,34,38)(H,35,40)(H,36,39,41)
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| InChIKey |
CDVJLYDZKYPQJI-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