
 CHEMBL1771682

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.1003    0.1255   -1.6719 C   0  0  0  0  0
    0.9427    0.9260   -0.3921 C   0  0  0  0  0
    2.3606    0.9634    0.1508 C   0  0  0  0  0
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    4.4053   -0.5080   -0.2922 C   0  0  0  0  0
    5.0718    0.5266   -0.3454 O   0  0  0  0  0
    5.0052   -1.7561   -0.4475 N   0  0  0  0  0
    4.3798   -3.0280   -0.0700 C   0  0  0  0  0
    4.7666   -4.1498   -1.0256 C   0  0  0  0  0
    6.2796   -4.2775   -1.1507 C   0  0  0  0  0
    6.9026   -2.9397   -1.5453 C   0  0  0  0  0
    6.4704   -1.7764   -0.6388 C   0  0  0  0  0
    7.1834   -1.8046    0.6817 C   0  0  0  0  0
    7.1288   -2.6814    1.6626 N   0  0  0  0  0
    8.0368   -2.1767    2.5698 C   0  0  0  0  0
    8.6399   -1.0483    2.1628 N   0  0  0  0  0
    8.0735   -0.7979    0.9155 O   0  0  0  0  0
    8.3120   -2.8359    3.8423 C   0  0  0  0  0
    7.6473   -4.0224    4.1792 C   0  0  0  0  0
    7.9140   -4.6480    5.3930 C   0  0  0  0  0
    8.8351   -4.1186    6.2892 C   0  0  0  0  0
    9.5033   -2.9400    5.9678 C   0  0  0  0  0
    9.2430   -2.3022    4.7502 C   0  0  0  0  0
    7.2718   -5.7821    5.7033 F   0  0  0  0  0
    0.1511   -0.2908   -2.0225 H   0  0  0  0  0
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    0.2788    0.4038    0.3066 H   0  0  0  0  0
    0.5374    1.9254   -0.5736 H   0  0  0  0  0
    2.9408    1.7157   -0.3968 H   0  0  0  0  0
    2.3854    1.2343    1.2111 H   0  0  0  0  0
    2.6386   -1.0606    0.7931 H   0  0  0  0  0
    2.7538   -1.1861   -2.1775 H   0  0  0  0  0
    1.5747   -1.8832   -1.0648 H   0  0  0  0  0
    3.2934   -2.9506   -0.0439 H   0  0  0  0  0
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    4.3389   -3.9458   -2.0154 H   0  0  0  0  0
    6.7029   -4.6286   -0.2030 H   0  0  0  0  0
    6.5243   -5.0336   -1.9056 H   0  0  0  0  0
    7.9952   -3.0325   -1.5655 H   0  0  0  0  0
    6.5870   -2.7113   -2.5723 H   0  0  0  0  0
    6.7670   -0.8543   -1.1551 H   0  0  0  0  0
    6.9204   -4.4700    3.5072 H   0  0  0  0  0
    9.0242   -4.6270    7.2295 H   0  0  0  0  0
   10.2258   -2.5155    6.6605 H   0  0  0  0  0
    9.7751   -1.3811    4.5167 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
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  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
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  4  6  1  0  0  0
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  5 33  1  0  0  0
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  9 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1771682

>  <PubChem CID>
54583575

>  <Formula>
C19H22FN3O2

>  <Molecular Weight>
343.402000

>  <IUPAC Name>
cyclopentyl-[(2R)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(C1)C(=O)N2CCCCC2C3=NC(=NO3)C4=CC(=CC=C4)F

>  <Isomeric SMILES>
C1CCN([C@H](C1)C2=NC(=NO2)C3=CC(=CC=C3)F)C(=O)C4CCCC4

>  <InChI Std. ID>
InChI=1S/C19H22FN3O2/c20-15-9-5-8-14(12-15)17-21-18(25-22-17)16-10-3-4-11-23(16)19(24)13-6-1-2-7-13/h5,8-9,12-13,16H,1-4,6-7,10-11H2/t16-/m1/s1

>  <InChI Key>
AMCMPOSHPVAYCI-MRXNPFEDSA-N

