General Information of the Compound
| Compound ID |
CP0546229
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| Compound Name |
4-[[[2-(tert-butylamino)-2-oxoethyl]-(2-chlorobenzoyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C21H23ClFN3O4
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| Molecular Weight |
435.883
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| Canonical SMILES |
CC(C)(C)NC(=O)CN(Cc1ccc(cc1F)C(=O)NO)C(=O)c1ccccc1Cl
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| InChI |
InChI=1S/C21H23ClFN3O4/c1-21(2,3)24-18(27)12-26(20(29)15-6-4-5-7-16(15)22)11-14-9-8-13(10-17(14)23)19(28)25-30/h4-10,30H,11-12H2,1-3H3,(H,24,27)(H,25,28)
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| InChIKey |
QEULZAPKCPGNFD-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