
 SCHEMBL1880072

 57 61  0  0  0  0  0  0  0  0999 V2000
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   10.2283    3.6070   -3.3067 N   0  0  0  0  0
    9.6541    2.3534   -3.4685 O   0  0  0  0  0
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    6.2366   -2.4927   -3.6681 N   0  0  0  0  0
    9.1710   -5.5000   -1.9415 H   0  0  0  0  0
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    8.7726   -6.4471   -3.3678 H   0  0  0  0  0
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   11.7089   -6.4196   -4.6093 H   0  0  0  0  0
   11.4350   -4.9460   -5.5630 H   0  0  0  0  0
    8.1965    0.3053   -3.5449 H   0  0  0  0  0
   12.3948   -0.5344   -4.0627 H   0  0  0  0  0
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   10.2981    6.1823   -3.5447 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1880072

>  <PubChem CID>
52939171

>  <Formula>
C25H24N4O4

>  <Molecular Weight>
444.491000

>  <IUPAC Name>
1-[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=C4CCC(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)

>  <InChI Key>
ABJWYYWQOWBHIB-UHFFFAOYSA-N

