General Information of the Compound
| Compound ID |
CP0543968
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| Compound Name |
(E)-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C17H13ClF3N3O3
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| Molecular Weight |
399.756
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C17H13ClF3N3O3/c18-14-7-6-12(9-13(14)17(19,20)21)23-16(26)22-11-4-1-10(2-5-11)3-8-15(25)24-27/h1-9,27H,(H,24,25)(H2,22,23,26)/b8-3+
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| InChIKey |
JGYOIFSDRONLHJ-FPYGCLRLSA-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