
 CHEMBL3800120

 68 71  0  0  0  0  0  0  0  0999 V2000
    2.2176   -1.1482   -1.3354 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3800120

>  <PubChem CID>
127046185

>  <Formula>
C26H32N4O6

>  <Molecular Weight>
496.564000

>  <IUPAC Name>
N-[(2S)-3-[4-[5-(2-cyclobutyloxy-6-methylpyridin-4-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=CC(=NC(=C3)OC4CCC4)C

>  <Isomeric SMILES>
CCC1=CC(=CC(=C1OC[C@H](CNC(=O)CO)O)C)C2=NOC(=N2)C3=CC(=NC(=C3)OC4CCC4)C

>  <InChI Std. ID>
InChI=1S/C26H32N4O6/c1-4-17-10-18(8-15(2)24(17)34-14-20(32)12-27-22(33)13-31)25-29-26(36-30-25)19-9-16(3)28-23(11-19)35-21-6-5-7-21/h8-11,20-21,31-32H,4-7,12-14H2,1-3H3,(H,27,33)/t20-/m0/s1

>  <InChI Key>
AEWAZTNRDIPNJI-FQEVSTJZSA-N

