General Information of the Compound
| Compound ID |
CP0013395
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| Compound Name |
N-(2-aminophenyl)-5-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]pentanamide
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| Formula |
C20H23BrN4O4
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| Molecular Weight |
463.332
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O
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| InChI |
InChI=1S/C20H23BrN4O4/c21-14-11-13(8-9-18(14)26)12-17(25-29)20(28)23-10-4-3-7-19(27)24-16-6-2-1-5-15(16)22/h1-2,5-6,8-9,11,26,29H,3-4,7,10,12,22H2,(H,23,28)(H,24,27)/b25-17+
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| InChIKey |
WMZBLXWARDASQB-KOEQRZSOSA-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
Protein ID: PT01213, Histone deacetylase 6