
 PHA-543613

 37 40  0  0  0  0  0  0  0  0999 V2000
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   -1.7870    1.7768    0.7454 C   0  0  0  0  0
   -2.3194    0.4069    0.5717 N   0  0  0  0  0
   -2.5441    0.1621   -0.8687 C   0  0  0  0  0
   -1.2404    0.2669   -1.6761 C   0  0  0  0  0
   -0.0866    0.6854   -0.7468 C   0  0  0  0  0
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   -1.3061   -0.5682    1.0575 C   0  0  0  0  0
    0.6590   -1.5956   -0.1054 N   0  0  0  0  0
    1.2522   -2.5080    0.7419 C   0  0  0  0  0
    1.4105   -2.3225    1.9430 O   0  0  0  0  0
    1.6966   -3.7770    0.0769 C   0  0  0  0  0
    1.4038   -3.8859   -1.2560 N   0  0  0  0  0
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    2.4489   -6.0004   -1.2024 C   0  0  0  0  0
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    2.8986   -7.1862   -1.6987 O   0  0  0  0  0
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   -1.1989   -0.4638    2.1447 H   0  0  0  0  0
    0.4900   -1.9211   -1.0541 H   0  0  0  0  0
    1.5518   -5.0941   -2.9648 H   0  0  0  0  0
    2.5639   -4.5924    1.8900 H   0  0  0  0  0
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M  END

>  <Chemical Name>
PHA-543613

>  <PubChem CID>
9930121

>  <Formula>
C15H17N3O2

>  <Molecular Weight>
271.320000

>  <IUPAC Name>
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN2CCC1C(C2)NC(=O)C3=NC=C4C(=C3)C=CO4

>  <Isomeric SMILES>
C1CN2CCC1[C@H](C2)NC(=O)C3=NC=C4C(=C3)C=CO4

>  <InChI Std. ID>
InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1

>  <InChI Key>
IPKZCLGGYKRDES-ZDUSSCGKSA-N

