
 CHEMBL3126622

 70 73  0  0  0  0  0  0  0  0999 V2000
    1.7439    0.1555    1.4042 C   0  0  0  0  0
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    3.8055    4.8965   -2.0840 H   0  0  0  0  0
    6.0722    2.3504    0.5451 H   0  0  0  0  0
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    7.3522   -1.5105    3.3654 H   0  0  0  0  0
    3.9112   -1.5226    2.2076 H   0  0  0  0  0
    3.3795   -2.5593    3.5221 H   0  0  0  0  0
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    5.7982    3.8288   -3.0203 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3126622

>  <PubChem CID>
76314625

>  <Formula>
C27H34N4O5

>  <Molecular Weight>
494.592000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC1=CC(=CC(=C1OCC(CNC(=O)CO)O)C)C2=NOC(=N2)C3=CC(=C(N=C3)C4CCCC4)C

>  <Isomeric SMILES>
CCC1=CC(=CC(=C1OC[C@H](CNC(=O)CO)O)C)C2=NOC(=N2)C3=CC(=C(N=C3)C4CCCC4)C

>  <InChI Std. ID>
InChI=1S/C27H34N4O5/c1-4-18-11-20(10-17(3)25(18)35-15-22(33)13-28-23(34)14-32)26-30-27(36-31-26)21-9-16(2)24(29-12-21)19-7-5-6-8-19/h9-12,19,22,32-33H,4-8,13-15H2,1-3H3,(H,28,34)/t22-/m0/s1

>  <InChI Key>
AJNUGGYZUUFYOF-QFIPXVFZSA-N

