General Information of the Compound
| Compound ID |
CP0438043
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| Compound Name |
4-[(4-tert-butylphenyl)methyl-[2-[(4-fluorophenyl)sulfonyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetyl]amino]-N-hydroxybenzamide
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| Structure |
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| Formula |
C34H33F4N3O5S
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| Molecular Weight |
671.713
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| Canonical SMILES |
CC(C)(C)c1ccc(CN(C(=O)CN(Cc2ccccc2C(F)(F)F)S(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1
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| InChI |
InChI=1S/C34H33F4N3O5S/c1-33(2,3)26-12-8-23(9-13-26)20-41(28-16-10-24(11-17-28)32(43)39-44)31(42)22-40(47(45,46)29-18-14-27(35)15-19-29)21-25-6-4-5-7-30(25)34(36,37)38/h4-19,44H,20-22H2,1-3H3,(H,39,43)
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| InChIKey |
PPCNXZVBGIANOM-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