General Information of the Compound
| Compound ID |
CP0450999
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| Compound Name |
N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C20H15F5N2O3
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| Molecular Weight |
426.341
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(CN(C2CC2)C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
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| InChI |
InChI=1S/C20H15F5N2O3/c21-15-14(16(22)18(24)19(25)17(15)23)20(29)27(12-6-7-12)9-11-3-1-10(2-4-11)5-8-13(28)26-30/h1-5,8,12,30H,6-7,9H2,(H,26,28)/b8-5+
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| InChIKey |
RXLARBWYBWXJIF-VMPITWQZSA-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: PT02410, Histone deacetylase 11
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8