General Information of the Compound
| Compound ID |
CP0530515
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| Compound Name |
4-[(4-tert-butylphenyl)methyl-[2-[(3,4-difluorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetyl]amino]-N-hydroxybenzamide
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| Structure |
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| Formula |
C34H32F5N3O5S
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| Molecular Weight |
689.703
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(C(=O)CN(Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(F)c(F)c2)c2ccc(cc2)C(=O)NO)cc1
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| InChI |
InChI=1S/C34H32F5N3O5S/c1-33(2,3)25-12-8-22(9-13-25)19-42(26-14-10-23(11-15-26)32(44)40-45)31(43)21-41(20-24-6-4-5-7-28(24)34(37,38)39)48(46,47)27-16-17-29(35)30(36)18-27/h4-18,45H,19-21H2,1-3H3,(H,40,44)
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| InChIKey |
WIKFAWMVEPRPOC-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: PT02410, Histone deacetylase 11
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8