General Information of the Compound
| Compound ID |
CP0406684
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| Compound Name |
5-cyclopropyl-2-(1,3-thiazol-2-yl)-N-(7,7,7-trifluoro-6-oxoheptyl)-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 |
FC(F)(F)C(=O)CCCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
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| InChI |
InChI=1S/C17H18F3N3O2S2/c18-17(19,20)11(24)4-2-1-3-7-21-14(25)12-13(10-5-6-10)27-16(23-12)15-22-8-9-26-15/h8-10H,1-7H2,(H,21,25)
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| InChIKey |
WCRZTBRZXCWGKV-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