General Information of the Compound
| Compound ID |
CP0405350
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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'-hydroxyhexanediamide
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| Structure |
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| Formula |
C32H48N4O7S2Si
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| Molecular Weight |
692.977
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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)CCCCC(=O)NO)cc2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C32H48N4O7S2Si/c1-21-19-36(30(40)34-29(21)39)28-18-24(25(43-28)20-42-46(5,6)31(2,3)4)32(44-16-9-17-45-32)22-12-14-23(15-13-22)33-26(37)10-7-8-11-27(38)35-41/h12-15,19,24-25,28,41H,7-11,16-18,20H2,1-6H3,(H,33,37)(H,35,38)(H,34,39,40)/t24-,25+,28+/m0/s1
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| InChIKey |
KJTGZLBZRSTGCL-BXTSTYNKSA-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 = 26300 nM
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TI
LI
LO
TS
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| CL000119 | DU145 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 14800 nM
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TI
LI
LO
TS
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