General Information of the Compound
| Compound ID |
CP0571245
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| Compound Name |
4-[[[2-(tert-butylamino)-2-oxoethyl]-(2-methylbenzoyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C22H26FN3O4
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| Molecular Weight |
415.465
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| Canonical SMILES |
Cc1ccccc1C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1F)C(=O)NO
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| InChI |
InChI=1S/C22H26FN3O4/c1-14-7-5-6-8-17(14)21(29)26(13-19(27)24-22(2,3)4)12-16-10-9-15(11-18(16)23)20(28)25-30/h5-11,30H,12-13H2,1-4H3,(H,24,27)(H,25,28)
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| InChIKey |
MGNMWQTWYLWJEN-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