
 CHEMBL3679385

 59 63  0  0  0  0  0  0  0  0999 V2000
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    2.5655    4.1638    0.0531 H   0  0  0  0  0
    1.6789    4.0561   -1.4905 H   0  0  0  0  0
    4.8946    2.3454   -1.5996 H   0  0  0  0  0
    6.9162    3.2580   -2.7060 H   0  0  0  0  0
    5.0634    7.1071   -2.9965 H   0  0  0  0  0
    3.0233    6.2274   -1.8898 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3679385

>  <PubChem CID>
58455965

>  <Formula>
C22H26FN5O5

>  <Molecular Weight>
459.478000

>  <IUPAC Name>
(2R,3R,4S,5R)-2-[6-[[(2R)-2-[(4-fluorophenyl)methoxy]cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

>  <XlogP>
2.000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
C1CC(C(C1)OCC2=CC=C(C=C2)F)NC3=NC=NC4=C3N=CN4C5C(C(C(O5)CO)O)O

>  <Isomeric SMILES>
C1C[C@H](C(C1)NC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)OCC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C22H26FN5O5/c23-13-6-4-12(5-7-13)9-32-15-3-1-2-14(15)27-20-17-21(25-10-24-20)28(11-26-17)22-19(31)18(30)16(8-29)33-22/h4-7,10-11,14-16,18-19,22,29-31H,1-3,8-9H2,(H,24,25,27)/t14?,15-,16-,18-,19-,22-/m1/s1

>  <InChI Key>
PRXZAKNIYXOOMQ-HFALVTKESA-N

