General Information of the Compound
| Compound ID |
CP0007405
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| Compound Name |
3-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]propanoic acid
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| Formula |
C12H13BrN2O5
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| Molecular Weight |
345.149
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| Canonical SMILES |
O\N=C(/Cc1ccc(O)c(Br)c1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C12H13BrN2O5/c13-8-5-7(1-2-10(8)16)6-9(15-20)12(19)14-4-3-11(17)18/h1-2,5,16,20H,3-4,6H2,(H,14,19)(H,17,18)/b15-9+
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| InChIKey |
NWSKLDYVCQCAPY-OQLLNIDSSA-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