General Information of the Compound
| Compound ID |
CP0546411
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| Compound Name |
(E)-N'-hydroxy-N-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]but-2-enediamide
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| Structure |
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| Formula |
C23H21N3O7S
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| Molecular Weight |
483.502
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(NC(=O)\C=C\C(=O)NO)cc1
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| InChI |
InChI=1S/C23H21N3O7S/c1-31-17-10-14(11-18(32-2)22(17)33-3)21(29)16-12-34-23(25-16)13-4-6-15(7-5-13)24-19(27)8-9-20(28)26-30/h4-12,30H,1-3H3,(H,24,27)(H,26,28)/b9-8+
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| InChIKey |
MSSHYRGSWURQPK-CMDGGOBGSA-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8