General Information of the Compound
Compound ID
CP0374686
Compound Name
[(2S,5R)-5-(6-aminopurin-9-yl)-3-fluoro-2,5-dihydrofuran-2-yl]methanol
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Structure
Formula
C10H10FN5O2
Molecular Weight
251.221
Canonical SMILES
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H](CO)C(F)=C1
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InChI
InChI=1S/C10H10FN5O2/c11-5-1-7(18-6(5)2-17)16-4-15-8-9(12)13-3-14-10(8)16/h1,3-4,6-7,17H,2H2,(H2,12,13,14)/t6-,7+/m0/s1
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InChIKey
ZRZZDWJPUBTIIV-NKWVEPMBSA-N
Physicochemical Property
logP
0.1516
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
99.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
18

"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: 509522
SID: 16059356
ChEMBL ID
CHEMBL515101
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