
 CHEMBL3753198

 52 55  0  0  0  0  0  0  0  0999 V2000
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    6.0110   -3.2957   -0.1188 N   0  0  0  0  0
    6.2746   -4.4415    0.6123 C   0  0  0  0  0
    5.3114   -4.7510    1.4966 N   0  0  0  0  0
    4.3758   -3.7352    1.3404 O   0  0  0  0  0
    7.4908   -5.2253    0.4257 C   0  0  0  0  0
    8.2678   -5.0691   -0.7189 C   0  0  0  0  0
    9.4063   -5.7791   -0.9538 N   0  0  0  0  0
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    8.9897   -6.8023    1.1741 C   0  0  0  0  0
    7.8480   -6.1067    1.3984 N   0  0  0  0  0
   10.8730   -7.4324   -0.1060 O   0  0  0  0  0
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   11.2324   -9.3011   -4.4223 O   0  0  0  0  0
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    2.5008    1.5026   -3.6028 C   0  0  0  0  0
    4.7369    2.4590   -4.1841 C   0  0  0  0  0
    0.1477   -0.9410    0.9232 H   0  0  0  0  0
    0.2788    0.7644    0.4690 H   0  0  0  0  0
    0.9144    0.2228    2.0368 H   0  0  0  0  0
    5.5569   -0.8583   -1.2427 H   0  0  0  0  0
    2.3729   -2.2206    1.3342 H   0  0  0  0  0
    7.9932   -4.3652   -1.4988 H   0  0  0  0  0
    9.2781   -7.5030    1.9498 H   0  0  0  0  0
   12.5621   -7.6984   -1.2022 H   0  0  0  0  0
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   11.1117   -7.2240   -4.4081 H   0  0  0  0  0
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    5.4768    1.5578   -1.7754 H   0  0  0  0  0
    4.0224    2.4909   -1.4964 H   0  0  0  0  0
    4.3367    0.4036   -3.7328 H   0  0  0  0  0
    2.1034    2.4316   -3.1798 H   0  0  0  0  0
    1.9627    0.6636   -3.1511 H   0  0  0  0  0
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    4.4516    3.4656   -3.8589 H   0  0  0  0  0
    4.5006    2.3681   -5.2494 H   0  0  0  0  0
    5.8223    2.3626   -4.0744 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 32  1  0  0  0
  1 33  1  0  0  0
  2  7  1  0  0  0
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  5 34  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 35  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3753198

>  <PubChem CID>
127036429

>  <Formula>
C20H22N6O4

>  <Molecular Weight>
410.434000

>  <IUPAC Name>
(4S)-4-[[5-[5-[2-methyl-6-(2-methylpropyl)pyridin-4-yl]-1,2,4-oxadiazol-3-yl]pyrazin-2-yl]oxymethyl]-1,3-oxazolidin-2-one

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=NC(=CC(=C1)C2=NC(=NO2)C3=CN=C(C=N3)OCC4COC(=O)N4)CC(C)C

>  <Isomeric SMILES>
CC1=NC(=CC(=C1)C2=NC(=NO2)C3=CN=C(C=N3)OC[C@H]4COC(=O)N4)CC(C)C

>  <InChI Std. ID>
InChI=1S/C20H22N6O4/c1-11(2)4-14-6-13(5-12(3)23-14)19-25-18(26-30-19)16-7-22-17(8-21-16)28-9-15-10-29-20(27)24-15/h5-8,11,15H,4,9-10H2,1-3H3,(H,24,27)/t15-/m0/s1

>  <InChI Key>
ABZDAEIKVWOCAQ-HNNXBMFYSA-N

