General Information of the Compound
| Compound ID |
CP0014891
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| Compound Name |
(2E)-N-[2-(2-aminoanilino)-2-oxoethyl]-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanamide
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| Formula |
C17H17BrN4O4
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| Molecular Weight |
421.251
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| Canonical SMILES |
Nc1ccccc1NC(=O)CNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O
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| InChI |
InChI=1S/C17H17BrN4O4/c18-11-7-10(5-6-15(11)23)8-14(22-26)17(25)20-9-16(24)21-13-4-2-1-3-12(13)19/h1-7,23,26H,8-9,19H2,(H,20,25)(H,21,24)/b22-14+
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| InChIKey |
SSOFSCHSYLOVMU-HYARGMPZSA-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