General Information of the Compound
| Compound ID |
CP0424978
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| Compound Name |
5-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)-N-(6,6,6-trifluoro-5-oxohexyl)-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C17H18F3N3O2S2
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| Molecular Weight |
417.478
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| Canonical SMILES |
Cc1cnc(s1)-c1nc(C(=O)NCCCCC(=O)C(F)(F)F)c(s1)C1CC1
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| InChI |
InChI=1S/C17H18F3N3O2S2/c1-9-8-22-15(26-9)16-23-12(13(27-16)10-5-6-10)14(25)21-7-3-2-4-11(24)17(18,19)20/h8,10H,2-7H2,1H3,(H,21,25)
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| InChIKey |
GJSCCYDUKNGSLB-UHFFFAOYSA-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: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6