General Information of the Compound
Compound ID
CP0440844
Compound Name
9-[(2R,5S)-3-fluoro-5-methoxy-2,5-dihydrofuran-2-yl]purin-6-amine
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Structure
Formula
C10H10FN5O2
Molecular Weight
251.221
Canonical SMILES
CO[C@H]1O[C@H](C(F)=C1)n1cnc2c(N)ncnc12
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InChI
InChI=1S/C10H10FN5O2/c1-17-6-2-5(11)10(18-6)16-4-15-7-8(12)13-3-14-9(7)16/h2-4,6,10H,1H3,(H2,12,13,14)/t6-,10+/m0/s1
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InChIKey
DTGSHXYAPSDAIB-QUBYGPBYSA-N
Physicochemical Property
logP
0.7632
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
88.08
Hydrogen Bond Donor Count
1
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: 44454090
ChEMBL ID
CHEMBL271681
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
CL000262 MT-2 Homo sapiens (Human)  1
1
IC50 = 400 nM
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