General Information of the Compound
| Compound ID |
CP0231885
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| Compound Name |
1-[(2R,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[2-(3,4-dimethoxyphenyl)-1,3-dithian-2-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
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| Structure |
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| Formula |
C28H42N2O6S2Si
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| Molecular Weight |
594.872
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| Canonical SMILES |
COc1ccc(cc1OC)C1(SCCCS1)[C@H]1C[C@@H](O[C@@H]1CO[Si](C)(C)C(C)(C)C)n1cc(C)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C28H42N2O6S2Si/c1-18-16-30(26(32)29-25(18)31)24-15-20(23(36-24)17-35-39(7,8)27(2,3)4)28(37-12-9-13-38-28)19-10-11-21(33-5)22(14-19)34-6/h10-11,14,16,20,23-24H,9,12-13,15,17H2,1-8H3,(H,29,31,32)/t20-,23+,24+/m0/s1
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| InChIKey |
XOVCHKAKMMRPCH-TUACAJSNSA-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