General Information of the Compound
Compound ID
CP0511095
Compound Name
[(2S,5S)-5-(6-aminopurin-9-yl)-3,3-difluorooxolan-2-yl]methanol
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Structure
Formula
C10H11F2N5O2
Molecular Weight
271.227
Canonical SMILES
Nc1ncnc2n(cnc12)[C@@H]1CC(F)(F)[C@H](CO)O1
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InChI
InChI=1S/C10H11F2N5O2/c11-10(12)1-6(19-5(10)2-18)17-4-16-7-8(13)14-3-15-9(7)17/h3-6,18H,1-2H2,(H2,13,14,15)/t5-,6-/m0/s1
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InChIKey
CGYGOMSWJFPRIE-WDSKDSINSA-N
Physicochemical Property
logP
0.3236
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
99.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
19

"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: 509518
SID: 15974482
ChEMBL ID
CHEMBL475089
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