General Information of the Compound
| Compound ID |
CP0512440
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| Compound Name |
3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide
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| Structure |
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| Formula |
C13H9F2N5O2S
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| Molecular Weight |
337.311
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| Canonical SMILES |
ONC(=O)c1cc(F)c(Cn2nnnc2-c2cccs2)c(F)c1
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| InChI |
InChI=1S/C13H9F2N5O2S/c14-9-4-7(13(21)17-22)5-10(15)8(9)6-20-12(16-18-19-20)11-2-1-3-23-11/h1-5,22H,6H2,(H,17,21)
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| InChIKey |
RCMJXOWHNPWZBG-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: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01443, Polyamine deacetylase HDAC10