General Information of the Compound
| Compound ID |
CP0634945
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| Compound Name |
(E)-3-(3-bromo-4-hydroxyphenyl)-2-(hydroxyimino)-N-(2-mercaptoethyl)propanamide
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| Structure |
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| Formula |
C11H13BrN2O3S
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| Molecular Weight |
333.207
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| Canonical SMILES |
O=C(NCCS)/C(Cc1ccc(O)c(Br)c1)=N/O
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| InChI |
InChI=1S/C11H13BrN2O3S/c12-8-5-7(1-2-10(8)15)6-9(14-17)11(16)13-3-4-18/h1-2,5,15,17-18H,3-4,6H2,(H,13,16)/b14-9+
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| InChIKey |
PCQQFHBCWBFDEF-NTEUORMPSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IG50 = 17000 nM
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TI
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LO
TS
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