General Information of the Compound
| Compound ID |
CP0039390
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| Compound Name |
(E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(4-methyl-3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)benzamide
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| Synonyms |
PMID25656651-Compound-19a
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| Structure |
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| Formula |
C25H21N5O3S
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| Molecular Weight |
471.542
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nc(cs1)-c1cccnc1
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| InChI |
InChI=1S/C25H21N5O3S/c1-16-4-10-20(27-24(32)18-8-5-17(6-9-18)7-11-23(31)30-33)13-21(16)28-25-29-22(15-34-25)19-3-2-12-26-14-19/h2-15,33H,1H3,(H,27,32)(H,28,29)(H,30,31)/b11-7+
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| InChIKey |
OINCRSHJNMRVSX-YRNVUSSQSA-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: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound
Drug 1 ( PMID25656651-Compound-19a )
| Drug Name | PMID25656651-Compound-19a | ||
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| Company | 4SC AG [DE] | ||