General Information of the Compound
Compound ID
CP0852846
Compound Name
(+)-1-(4-Fluoro-5-hydroxymethyl-2,5-dihydro-furan-2-yl)-4-hydroxy-1H-pyrimidin-2-one
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Structure
Formula
C9H9FN2O4
Molecular Weight
228.179
Canonical SMILES
O=c1nc(O)ccn1[C@@H]1C=C(F)[C@H](CO)O1
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InChI
InChI=1S/C9H9FN2O4/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15/h1-3,6,8,13H,4H2,(H,11,14,15)/t6-,8-/m0/s1
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InChIKey
NAEUPXNMYRYGMX-XPUUQOCRSA-N
Physicochemical Property
logP
-0.308
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
84.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
16

"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: 462116
SID: 16156046
ChEMBL ID
CHEMBL470502
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
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS