
 SCHEMBL1880639

 57 61  0  0  0  0  0  0  0  0999 V2000
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    6.8314    1.0254   -0.3324 H   0  0  0  0  0
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    9.7274   -2.5584    1.5093 H   0  0  0  0  0
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    9.8354    6.1105   -1.4331 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1880639

>  <PubChem CID>
58344872

>  <Formula>
C25H24N4O4

>  <Molecular Weight>
444.491000

>  <IUPAC Name>
1-[(1R)-4-[5-(3-cyano-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]azetidine-3-carboxylic acid

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)N5CC(C5)C(=O)O)C#N

>  <Isomeric SMILES>
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CC[C@H](C4=CC=C3)N5CC(C5)C(=O)O)C#N

>  <InChI Std. ID>
InChI=1S/C25H24N4O4/c1-14(2)32-22-9-6-15(10-16(22)11-26)24-27-23(28-33-24)20-5-3-4-19-18(20)7-8-21(19)29-12-17(13-29)25(30)31/h3-6,9-10,14,17,21H,7-8,12-13H2,1-2H3,(H,30,31)/t21-/m1/s1

>  <InChI Key>
ABJWYYWQOWBHIB-OAQYLSRUSA-N

