
 CHEMBL3800019

 71 74  0  0  0  0  0  0  0  0999 V2000
    1.4711    1.2270    2.3083 C   0  0  0  0  0
    1.7349    0.9240    0.8370 C   0  0  0  0  0
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    3.1318    5.2758   -2.0355 H   0  0  0  0  0
    5.8787    1.3165   -1.6208 H   0  0  0  0  0
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    8.4827   -2.2256   -1.2315 H   0  0  0  0  0
    7.4300   -5.4445   -0.2402 H   0  0  0  0  0
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    4.8304    4.2860   -3.0572 H   0  0  0  0  0
    2.7102    9.3594   -0.5765 H   0  0  0  0  0
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   -3.5621   13.2337    1.7084 H   0  0  0  0  0
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    3.4913   11.9046   -1.1576 H   0  0  0  0  0
    3.8419   11.6597    0.5749 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3800019

>  <PubChem CID>
127046741

>  <Formula>
C27H34N4O6

>  <Molecular Weight>
510.591000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC1=CC(=CC(=C1OCC(CNC(=O)CO)O)C)C2=NOC(=N2)C3=CC(=NC(=C3)OC4CCCC4)C

>  <Isomeric SMILES>
CCC1=CC(=CC(=C1OC[C@H](CNC(=O)CO)O)C)C2=NOC(=N2)C3=CC(=NC(=C3)OC4CCCC4)C

>  <InChI Std. ID>
InChI=1S/C27H34N4O6/c1-4-18-11-19(9-16(2)25(18)35-15-21(33)13-28-23(34)14-32)26-30-27(37-31-26)20-10-17(3)29-24(12-20)36-22-7-5-6-8-22/h9-12,21-22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t21-/m0/s1

>  <InChI Key>
AWSQXFXRSMMJTH-NRFANRHFSA-N

