General Information of the Compound
| Compound ID |
CP0577507
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| Compound Name |
4-[[[2-(tert-butylamino)-2-oxoethyl]-[4-(dimethylamino)benzoyl]amino]methyl]-3-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C23H29FN4O4
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| Molecular Weight |
444.507
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1F)C(=O)NO
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| InChI |
InChI=1S/C23H29FN4O4/c1-23(2,3)25-20(29)14-28(22(31)15-8-10-18(11-9-15)27(4)5)13-17-7-6-16(12-19(17)24)21(30)26-32/h6-12,32H,13-14H2,1-5H3,(H,25,29)(H,26,30)
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| InChIKey |
TZYYASDRQOVDAK-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: PT01213, Histone deacetylase 6