General Information of the Compound
| Compound ID |
CP0444693
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| Compound Name |
(E)-3-[4-[[[1-(2-bromo-4-methylanilino)isoquinolin-7-yl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C26H23BrN4O2
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| Molecular Weight |
503.4
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| Canonical SMILES |
Cc1ccc(Nc2nccc3ccc(NCc4ccc(\C=C\C(=O)NO)cc4)cc23)c(Br)c1
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| InChI |
InChI=1S/C26H23BrN4O2/c1-17-2-10-24(23(27)14-17)30-26-22-15-21(9-8-20(22)12-13-28-26)29-16-19-5-3-18(4-6-19)7-11-25(32)31-33/h2-15,29,33H,16H2,1H3,(H,28,30)(H,31,32)/b11-7+
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| InChIKey |
KJIFFNKVPQRPLW-YRNVUSSQSA-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6