General Information of the Compound
| Compound ID |
CP0176598
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| Compound Name |
N-[4-[2-[(2S,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1,3-dithian-2-yl]phenyl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C34H52N4O7S2Si
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| Molecular Weight |
721.031
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| Canonical SMILES |
Cc1cn([C@H]2C[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O2)C2(SCCCS2)c2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C34H52N4O7S2Si/c1-23-21-38(32(42)36-31(23)41)30-20-26(27(45-30)22-44-48(5,6)33(2,3)4)34(46-18-11-19-47-34)24-14-16-25(17-15-24)35-28(39)12-9-7-8-10-13-29(40)37-43/h14-17,21,26-27,30,43H,7-13,18-20,22H2,1-6H3,(H,35,39)(H,37,40)(H,36,41,42)/t26-,27+,30+/m0/s1
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| InChIKey |
OBLYOUHZDXWOHW-PVTPYKNESA-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: PT03064, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay