General Information of the Compound
Compound ID
CP0221683
Compound Name
2-[3-[3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
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Structure
Formula
C24H44N2O7Si2
Molecular Weight
528.795
Canonical SMILES
Cc1cn(C2OC(CO[Si](C)(C)C(C)(C)C)CC2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(O)=O)c1=O
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InChI
InChI=1S/C24H44N2O7Si2/c1-16-13-26(22(30)25(20(16)29)14-19(27)28)21-18(33-35(10,11)24(5,6)7)12-17(32-21)15-31-34(8,9)23(2,3)4/h13,17-18,21H,12,14-15H2,1-11H3,(H,27,28)
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InChIKey
IHXAFBNVJSPXTN-UHFFFAOYSA-N
Physicochemical Property
logP
4.10272
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
108.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
35

"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).

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PubChem ID
CID: 44334945
ChEMBL ID
CHEMBL105018
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00005, Reverse transcriptase/RNaseH
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000108 CCRF-CEM Homo sapiens (Human)  1
1
EC50 = 4500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1100 nM
2 IC50 = 5700 nM
3 IC50 = 33800 nM
4 IC50 = 47400 nM