General Information of the Compound
| Compound ID |
CP0014542
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| Compound Name |
N-(2-aminophenyl)-4-[4-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]butanoylamino]benzamide
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| Formula |
C32H31N7O7
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| Molecular Weight |
625.642
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(NC(=O)CCCNC(=O)CNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)cc1
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| InChI |
InChI=1S/C32H31N7O7/c33-21-6-1-2-7-22(21)37-29(43)18-10-12-19(13-11-18)36-25(40)9-4-16-34-27(42)17-35-23-8-3-5-20-28(23)32(46)39(31(20)45)24-14-15-26(41)38-30(24)44/h1-3,5-8,10-13,24,35H,4,9,14-17,33H2,(H,34,42)(H,36,40)(H,37,43)(H,38,41,44)
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| InChIKey |
DVHSVOTUIFPGKP-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