
 CHEMBL3126597

 71 73  0  0  0  0  0  0  0  0999 V2000
    1.4928    0.2010    1.3436 C   0  0  0  0  0
    2.2320    0.1207    0.0127 C   0  0  0  0  0
    2.6609    1.4588   -0.5479 C   0  0  0  0  0
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    3.3177    3.8879   -1.8161 C   0  0  0  0  0
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    3.9602    1.6855   -1.0343 C   0  0  0  0  0
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    1.2849   -0.8071    1.7172 H   0  0  0  0  0
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    2.0872    0.7302    2.0953 H   0  0  0  0  0
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    3.0953   -0.5379    0.1461 H   0  0  0  0  0
    0.7125    2.3572   -0.2748 H   0  0  0  0  0
    3.5735    4.8254   -2.3079 H   0  0  0  0  0
    5.8733    2.2359    0.3041 H   0  0  0  0  0
    6.9014    1.0185   -0.4255 H   0  0  0  0  0
    4.9386    0.5199    1.8798 H   0  0  0  0  0
    7.1411   -1.2455    0.6587 H   0  0  0  0  0
    5.3994   -1.5938    0.6140 H   0  0  0  0  0
    7.3048   -1.8929    2.8344 H   0  0  0  0  0
    3.7125   -1.4158    2.3151 H   0  0  0  0  0
    3.2994   -2.4612    3.6672 H   0  0  0  0  0
    3.8860   -4.2456    2.3713 H   0  0  0  0  0
    6.8526    0.4331    3.0978 H   0  0  0  0  0
    6.0517    2.1301   -2.7229 H   0  0  0  0  0
    6.2974    3.5719   -1.7000 H   0  0  0  0  0
    5.5118    3.7027   -3.2890 H   0  0  0  0  0
   -4.4471    8.1744    2.2120 H   0  0  0  0  0
   -2.1765    7.9905   -1.4330 H   0  0  0  0  0
   -4.2442    9.3100   -1.3550 H   0  0  0  0  0
   -3.9089   10.2725    0.1024 H   0  0  0  0  0
   -5.3242    9.1905    0.0346 H   0  0  0  0  0
   -5.1889    6.1240    3.1568 H   0  0  0  0  0
   -4.6044    5.5611    4.7027 H   0  0  0  0  0
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   -1.3558    7.5168    5.1560 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3126597

>  <PubChem CID>
76325530

>  <Formula>
C26H35N5O5

>  <Molecular Weight>
497.596000

>  <IUPAC Name>
N-[(2S)-3-[4-[5-[6-(diethylamino)-4-methylpyridin-2-yl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC1=CC(=CC(=C1OCC(CNC(=O)CO)O)C)C2=NOC(=N2)C3=NC(=CC(=C3)C)N(CC)CC

>  <Isomeric SMILES>
CCC1=CC(=CC(=C1OC[C@H](CNC(=O)CO)O)C)C2=NOC(=N2)C3=NC(=CC(=C3)C)N(CC)CC

>  <InChI Std. ID>
InChI=1S/C26H35N5O5/c1-6-18-12-19(11-17(5)24(18)35-15-20(33)13-27-23(34)14-32)25-29-26(36-30-25)21-9-16(4)10-22(28-21)31(7-2)8-3/h9-12,20,32-33H,6-8,13-15H2,1-5H3,(H,27,34)/t20-/m0/s1

>  <InChI Key>
ADIJBPCRNOKJLE-FQEVSTJZSA-N

