General Information of the Compound
| Compound ID |
CP0538066
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| Compound Name |
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-5-(2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C20H20N4O3S2
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| Molecular Weight |
428.539
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| Canonical SMILES |
CC(C)Cc1sc(nc1C(=O)Nc1ccc(\C=C\C(=O)NO)cc1)-c1nccs1
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| InChI |
InChI=1S/C20H20N4O3S2/c1-12(2)11-15-17(23-20(29-15)19-21-9-10-28-19)18(26)22-14-6-3-13(4-7-14)5-8-16(25)24-27/h3-10,12,27H,11H2,1-2H3,(H,22,26)(H,24,25)/b8-5+
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| InChIKey |
UNVPUPLOOVPSFW-VMPITWQZSA-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