General Information of the Compound
| Compound ID |
CP0566736
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| Compound Name |
N-[4-[2-[(2S,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-1,3-dithian-2-yl]phenyl]-N'-hydroxyheptanediamide
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| Structure |
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| Formula |
C33H50N4O7S2Si
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| Molecular Weight |
707.004
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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)CCCCCC(=O)NO)cc2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C33H50N4O7S2Si/c1-22-20-37(31(41)35-30(22)40)29-19-25(26(44-29)21-43-47(5,6)32(2,3)4)33(45-17-10-18-46-33)23-13-15-24(16-14-23)34-27(38)11-8-7-9-12-28(39)36-42/h13-16,20,25-26,29,42H,7-12,17-19,21H2,1-6H3,(H,34,38)(H,36,39)(H,35,40,41)/t25-,26+,29-/m0/s1
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| InChIKey |
WNFFFEKXYPWSOF-HFASVGIHSA-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
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 14800 nM
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TI
LI
LO
TS
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| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 17800 nM
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TI
LI
LO
TS
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