General Information of the Compound
| Compound ID |
CP0564514
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| Compound Name |
N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
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| Formula |
C22H25FN4O4
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| Molecular Weight |
428.464
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| Canonical SMILES |
COc1cccc(c1F)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2c1
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| InChI |
InChI=1S/C22H25FN4O4/c1-31-18-8-6-7-15(21(18)23)14-11-12-16-17(13-14)25-26-22(16)24-19(28)9-4-2-3-5-10-20(29)27-30/h6-8,11-13,30H,2-5,9-10H2,1H3,(H,27,29)(H2,24,25,26,28)
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| InChIKey |
NVFWVYMGEIBQMR-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: PT01499, Histone deacetylase 8