General Information of the Compound
| Compound ID |
CP0639103
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| Compound Name |
(S)-N-(1-(5-(4-fluorophenyl)-1H-imidazol-2-yl)-7-oxo-7-(thiazol-2-yl)heptyl)-1-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C26H32FN5O2S
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| Molecular Weight |
497.64
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| Canonical SMILES |
CN1CCC(C(=O)N[C@@H](CCCCCC(=O)c2nccs2)c2ncc(-c3ccc(F)cc3)[nH]2)CC1
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| InChI |
InChI=1S/C26H32FN5O2S/c1-32-14-11-19(12-15-32)25(34)31-21(5-3-2-4-6-23(33)26-28-13-16-35-26)24-29-17-22(30-24)18-7-9-20(27)10-8-18/h7-10,13,16-17,19,21H,2-6,11-12,14-15H2,1H3,(H,29,30)(H,31,34)/t21-/m0/s1
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| InChIKey |
OEVNYXUGKVJBIX-NRFANRHFSA-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: PT00835, Histone deacetylase 2