
 CHEMBL1822447

 68 72  0  0  0  0  0  0  0  0999 V2000
    5.7550    2.3307    0.5357 C   0  0  0  0  0
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    6.6788    1.7428    0.5222 H   0  0  0  0  0
    4.9195    1.6239    0.5729 H   0  0  0  0  0
    5.7391    2.9188    1.4616 H   0  0  0  0  0
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    4.3258    4.7713    0.1135 H   0  0  0  0  0
    3.4982    3.2985   -0.4032 H   0  0  0  0  0
    4.0690    4.4234   -1.6143 H   0  0  0  0  0
    7.6507    3.4294   -0.6816 H   0  0  0  0  0
    5.8064    6.4840   -0.9094 H   0  0  0  0  0
    5.2178    5.9702   -2.4981 H   0  0  0  0  0
    6.6464    7.4452   -3.6092 H   0  0  0  0  0
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    8.8227    6.7909   -3.3697 H   0  0  0  0  0
    8.9388    7.8180   -1.9384 H   0  0  0  0  0
    9.3155    5.1610   -1.6719 H   0  0  0  0  0
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    9.2337    3.9118   -3.5211 H   0  0  0  0  0
    8.9121   -0.2846   -2.3902 H   0  0  0  0  0
   10.2087    0.5719   -1.5720 H   0  0  0  0  0
   11.0583   -1.5363   -2.5053 H   0  0  0  0  0
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   17.9631    2.5571    1.6120 H   0  0  0  0  0
   18.7137    4.2753    3.2266 H   0  0  0  0  0
   17.1157    5.9931    4.0454 H   0  0  0  0  0
   14.7810    5.9836    3.2390 H   0  0  0  0  0
   13.0055    4.9533    1.7951 H   0  0  0  0  0
   12.3586    3.2182    0.1558 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1822447

>  <PubChem CID>
56681961

>  <Formula>
C26H34N6O2

>  <Molecular Weight>
462.598000

>  <IUPAC Name>
N-[[1-(propan-2-ylamino)cyclopentyl]methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)NC1(CCCC1)CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
CC(C)NC1(CCCC1)CNC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C26H34N6O2/c1-18(2)30-26(13-5-6-14-26)17-27-25(33)32-15-11-20(12-16-32)24-29-23(31-34-24)22-10-9-19-7-3-4-8-21(19)28-22/h3-4,7-10,18,20,30H,5-6,11-17H2,1-2H3,(H,27,33)

>  <InChI Key>
AMHUWKSEZZAQOK-UHFFFAOYSA-N

