
 SCHEMBL1187087

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1187087

>  <PubChem CID>
44218903

>  <Formula>
C27H35N5O5

>  <Molecular Weight>
509.607000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCC1=CC(=CC(=C1OCC(CNC(=O)CO)O)C)C2=NOC(=N2)C3=CC(=C(N=C3)N4CCCC4)CC

>  <Isomeric SMILES>
CCC1=CC(=CC(=C1OC[C@H](CNC(=O)CO)O)C)C2=NOC(=N2)C3=CC(=C(N=C3)N4CCCC4)CC

>  <InChI Std. ID>
InChI=1S/C27H35N5O5/c1-4-18-11-20(10-17(3)24(18)36-16-22(34)14-28-23(35)15-33)25-30-27(37-31-25)21-12-19(5-2)26(29-13-21)32-8-6-7-9-32/h10-13,22,33-34H,4-9,14-16H2,1-3H3,(H,28,35)/t22-/m0/s1

>  <InChI Key>
ASDGDYJTNXVUCK-QFIPXVFZSA-N

