General Information of the Compound
Compound ID
CP0532364
Compound Name
1-[(2S,5S)-4-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
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Structure
Formula
C10H11FN2O4
Molecular Weight
242.206
Canonical SMILES
Cc1cn([C@H]2O[C@@H](CO)C(F)=C2)c(=O)[nH]c1=O
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InChI
InChI=1S/C10H11FN2O4/c1-5-3-13(10(16)12-9(5)15)8-2-6(11)7(4-14)17-8/h2-3,7-8,14H,4H2,1H3,(H,12,15,16)/t7-,8-/m0/s1
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InChIKey
HOHBSAVNJFQWMJ-YUMQZZPRSA-N
Physicochemical Property
logP
-0.41188
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
84.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 464993
SID: 16904501
ChEMBL ID
CHEMBL475712
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: PT00004, Pol polyprotein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000057 Vero Chlorocebus sabaeus (Green monkey)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000108 CCRF-CEM Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS