
 CHEMBL1958156

 52 56  0  0  0  0  0  0  0  0999 V2000
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   -1.1029   -3.6018    2.1435 C   0  0  0  0  0
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   -4.4953   -4.1989    3.3543 N   0  0  0  0  0
   -4.8221   -5.4745    3.7030 C   0  0  0  0  0
   -3.6882   -6.2589    3.7550 C   0  0  0  0  0
   -2.6271   -5.4773    3.4251 O   0  0  0  0  0
   -3.7004   -7.6040    4.0880 C   0  0  0  0  0
   -4.9668   -8.1515    4.3600 C   0  0  0  0  0
   -6.0728   -7.2796    4.2738 C   0  0  0  0  0
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   -5.1237   -9.5776    4.7090 C   0  0  0  0  0
   -6.0703  -10.0249    5.6360 C   0  0  0  0  0
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    0.3740    0.7721   -2.3249 H   0  0  0  0  0
    1.2775    1.7255   -1.1518 H   0  0  0  0  0
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   -0.4934    1.5171    0.5032 H   0  0  0  0  0
   -2.5573    0.1707    0.0333 H   0  0  0  0  0
   -1.9195   -0.3131   -1.4975 H   0  0  0  0  0
    0.7384   -2.4656   -0.3413 H   0  0  0  0  0
   -0.0789   -1.7943   -1.7071 H   0  0  0  0  0
    1.6843   -0.2231    0.2432 H   0  0  0  0  0
    2.0746   -0.6696   -1.4107 H   0  0  0  0  0
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    0.1498   -2.2404    3.2363 H   0  0  0  0  0
    0.8265   -2.7233    1.7068 H   0  0  0  0  0
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   -3.5690  -10.3301    3.3915 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1958156

>  <PubChem CID>
57397509

>  <Formula>
C21H25N5O

>  <Molecular Weight>
363.465000

>  <IUPAC Name>
2-(4-piperidin-1-ylpiperidin-1-yl)-6-pyridin-3-yl-[1,3]oxazolo[4,5-b]pyridine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)C2CCN(CC2)C3=NC4=C(O3)C=C(C=N4)C5=CN=CC=C5

>  <Isomeric SMILES>
C1CCN(CC1)C2CCN(CC2)C3=NC4=C(O3)C=C(C=N4)C5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C21H25N5O/c1-2-9-25(10-3-1)18-6-11-26(12-7-18)21-24-20-19(27-21)13-17(15-23-20)16-5-4-8-22-14-16/h4-5,8,13-15,18H,1-3,6-7,9-12H2

>  <InChI Key>
ANRYAIYMUARPOY-UHFFFAOYSA-N

