General Information of the Compound
| Compound ID |
CP0015011
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| Compound Name |
N-(2-aminophenyl)-4-[7-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]heptanoylamino]benzamide
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| Formula |
C35H37N7O7
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| Molecular Weight |
667.723
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCCCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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| InChI |
InChI=1S/C35H37N7O7/c36-24-9-4-5-10-25(24)40-32(46)21-13-15-22(16-14-21)39-28(43)12-3-1-2-6-19-37-30(45)20-38-26-11-7-8-23-31(26)35(49)42(34(23)48)27-17-18-29(44)41-33(27)47/h4-5,7-11,13-16,27,38H,1-3,6,12,17-20,36H2,(H,37,45)(H,39,43)(H,40,46)(H,41,44,47)
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| InChIKey |
WXWAPGNHECFJAW-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