
 CHEMBL1823847

 55 59  0  0  0  0  0  0  0  0999 V2000
    7.2025    2.5942    3.5709 C   0  0  0  0  0
    6.0962    2.0370    2.8668 O   0  0  0  0  0
    5.9771    2.4513    1.5672 C   0  0  0  0  0
    6.0692    3.7977    1.2119 C   0  0  0  0  0
    5.8306    4.1959   -0.1106 C   0  0  0  0  0
    5.9104    5.5452   -0.5011 C   0  0  0  0  0
    5.6495    5.9138   -1.8192 C   0  0  0  0  0
    5.3094    4.9390   -2.7495 C   0  0  0  0  0
    5.2337    3.5988   -2.3577 C   0  0  0  0  0
    5.4874    3.2047   -1.0506 C   0  0  0  0  0
    5.3914    1.9071   -0.7227 N   0  0  0  0  0
    5.6313    1.5351    0.5695 C   0  0  0  0  0
    5.5243    0.0953    0.8311 C   0  0  0  0  0
    6.3114   -0.5810    1.6894 N   0  0  0  0  0
    5.8784   -1.8975    1.5783 O   0  0  0  0  0
    4.8766   -1.9036    0.6546 C   0  0  0  0  0
    4.6215   -0.7165    0.1606 N   0  0  0  0  0
    4.2542   -3.2256    0.3613 C   0  0  0  0  0
    2.7815   -3.1064   -0.0361 C   0  0  0  0  0
    2.5682   -2.5954   -1.4619 C   0  0  0  0  0
    3.3865   -3.3096   -2.4479 N   0  0  0  0  0
    4.8072   -3.4180   -2.1064 C   0  0  0  0  0
    5.0302   -3.9890   -0.7111 C   0  0  0  0  0
    3.0861   -3.4350   -3.8140 C   0  0  0  0  0
    3.9397   -3.8176   -4.6108 O   0  0  0  0  0
    1.7984   -3.1151   -4.1749 N   0  0  0  0  0
    1.2209   -3.1229   -5.4717 C   0  0  0  0  0
    1.9063   -3.5177   -6.6244 C   0  0  0  0  0
    1.2816   -3.4847   -7.8770 C   0  0  0  0  0
   -0.0380   -3.0564   -7.9960 C   0  0  0  0  0
   -0.7410   -2.6660   -6.8593 C   0  0  0  0  0
   -0.1172   -2.7021   -5.6081 C   0  0  0  0  0
   -1.0403   -2.2053   -4.2276 Cl  0  0  0  0  0
    7.3277    2.0244    4.4966 H   0  0  0  0  0
    7.0102    3.6346    3.8502 H   0  0  0  0  0
    8.1289    2.5095    2.9930 H   0  0  0  0  0
    6.2881    4.5519    1.9608 H   0  0  0  0  0
    6.1727    6.3155    0.2204 H   0  0  0  0  0
    5.7094    6.9576   -2.1171 H   0  0  0  0  0
    5.0996    5.2142   -3.7803 H   0  0  0  0  0
    4.9642    2.8418   -3.0907 H   0  0  0  0  0
    4.2976   -3.8111    1.2900 H   0  0  0  0  0
    2.2365   -2.4662    0.6685 H   0  0  0  0  0
    2.3295   -4.1052    0.0357 H   0  0  0  0  0
    1.5039   -2.7010   -1.6782 H   0  0  0  0  0
    2.8071   -1.5303   -1.5495 H   0  0  0  0  0
    5.3326   -4.0594   -2.8223 H   0  0  0  0  0
    5.2438   -2.4163   -2.1984 H   0  0  0  0  0
    4.6960   -5.0351   -0.7060 H   0  0  0  0  0
    6.1038   -3.9992   -0.4862 H   0  0  0  0  0
    1.1610   -2.8157   -3.4577 H   0  0  0  0  0
    2.9356   -3.8609   -6.5895 H   0  0  0  0  0
    1.8360   -3.7944   -8.7602 H   0  0  0  0  0
   -0.5154   -3.0284   -8.9720 H   0  0  0  0  0
   -1.7712   -2.3328   -6.9531 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3 12  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 51  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 52  1  0  0  0
 29 30  2  0  0  0
 29 53  1  0  0  0
 30 31  1  0  0  0
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 31 32  2  0  0  0
 31 55  1  0  0  0
 32 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1823847

>  <PubChem CID>
56682554

>  <Formula>
C24H22ClN5O3

>  <Molecular Weight>
463.922000

>  <IUPAC Name>
N-(2-chlorophenyl)-4-[3-(3-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC2=CC=CC=C2N=C1C3=NOC(=N3)C4CCN(CC4)C(=O)NC5=CC=CC=C5Cl

>  <Isomeric SMILES>
COC1=CC2=CC=CC=C2N=C1C3=NOC(=N3)C4CCN(CC4)C(=O)NC5=CC=CC=C5Cl

>  <InChI Std. ID>
InChI=1S/C24H22ClN5O3/c1-32-20-14-16-6-2-4-8-18(16)26-21(20)22-28-23(33-29-22)15-10-12-30(13-11-15)24(31)27-19-9-5-3-7-17(19)25/h2-9,14-15H,10-13H2,1H3,(H,27,31)

>  <InChI Key>
AGQWQTRMTRWJCA-UHFFFAOYSA-N

