
 CHEMBL1823842

 56 60  0  0  0  0  0  0  0  0999 V2000
    2.3016   -5.8213    0.2177 C   0  0  0  0  0
    3.1996   -5.1745    1.2690 C   0  0  0  0  0
    3.3077   -3.6615    1.0702 C   0  0  0  0  0
    1.9317   -2.9876    1.0154 C   0  0  0  0  0
    1.0593   -3.6397   -0.0631 C   0  0  0  0  0
    0.9337   -5.1492    0.1429 C   0  0  0  0  0
    1.3258   -3.1538    2.3118 O   0  0  0  0  0
    0.3206   -2.2998    2.6396 C   0  0  0  0  0
   -0.0765   -1.4075    1.8999 O   0  0  0  0  0
   -0.1983   -2.5556    3.9050 N   0  0  0  0  0
   -1.0552   -1.5245    4.4781 C   0  0  0  0  0
   -1.9368   -2.0440    5.6118 C   0  0  0  0  0
   -1.1508   -2.8544    6.6495 C   0  0  0  0  0
   -0.3774   -3.9680    5.9375 C   0  0  0  0  0
    0.5207   -3.4251    4.8310 C   0  0  0  0  0
   -0.2508   -1.9992    7.4771 C   0  0  0  0  0
    0.0223   -0.7217    7.3790 N   0  0  0  0  0
    0.9358   -0.5190    8.3964 C   0  0  0  0  0
    1.2100   -1.6370    9.0958 N   0  0  0  0  0
    0.4189   -2.6124    8.4942 O   0  0  0  0  0
    1.5364    0.7906    8.6745 C   0  0  0  0  0
    1.1236    1.8281    7.8988 N   0  0  0  0  0
    1.6354    3.0494    8.1252 C   0  0  0  0  0
    1.2190    4.1190    7.3440 C   0  0  0  0  0
    1.7140    5.4116    7.5427 C   0  0  0  0  0
    2.6491    5.6487    8.5438 C   0  0  0  0  0
    3.0872    4.5929    9.3404 C   0  0  0  0  0
    2.5862    3.2949    9.1370 C   0  0  0  0  0
    3.0039    2.2137    9.9203 C   0  0  0  0  0
    2.4750    0.9472    9.6886 C   0  0  0  0  0
    2.7895   -5.7590   -0.7629 H   0  0  0  0  0
    2.1767   -6.8857    0.4446 H   0  0  0  0  0
    4.1988   -5.6227    1.2249 H   0  0  0  0  0
    2.8022   -5.3882    2.2688 H   0  0  0  0  0
    3.8935   -3.2425    1.8969 H   0  0  0  0  0
    3.8540   -3.4553    0.1417 H   0  0  0  0  0
    2.0731   -1.9204    0.8051 H   0  0  0  0  0
    0.0540   -3.2041   -0.0593 H   0  0  0  0  0
    1.4939   -3.4421   -1.0505 H   0  0  0  0  0
    0.3752   -5.3513    1.0653 H   0  0  0  0  0
    0.3545   -5.5845   -0.6792 H   0  0  0  0  0
   -1.6961   -1.1035    3.6946 H   0  0  0  0  0
   -0.4044   -0.7116    4.8190 H   0  0  0  0  0
   -2.4619   -1.2046    6.0839 H   0  0  0  0  0
   -2.7096   -2.6936    5.1793 H   0  0  0  0  0
   -1.8726   -3.3184    7.3342 H   0  0  0  0  0
    0.2250   -4.5485    6.6466 H   0  0  0  0  0
   -1.0987   -4.6667    5.4932 H   0  0  0  0  0
    1.3549   -2.8469    5.2467 H   0  0  0  0  0
    0.9553   -4.2741    4.2921 H   0  0  0  0  0
    0.4873    3.9409    6.5590 H   0  0  0  0  0
    1.3652    6.2271    6.9140 H   0  0  0  0  0
    3.0359    6.6517    8.7037 H   0  0  0  0  0
    3.8190    4.7869   10.1210 H   0  0  0  0  0
    3.7365    2.3495   10.7118 H   0  0  0  0  0
    2.7944    0.1063   10.2961 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
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 13 14  1  0  0  0
 13 16  1  0  0  0
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 14 15  1  0  0  0
 14 47  1  0  0  0
 14 48  1  0  0  0
 15 49  1  0  0  0
 15 50  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 21  1  0  0  0
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 23 28  1  0  0  0
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 24 25  1  0  0  0
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 29 55  1  0  0  0
 30 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1823842

>  <PubChem CID>
44629067

>  <Formula>
C23H26N4O3

>  <Molecular Weight>
406.486000

>  <IUPAC Name>
cyclohexyl 4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCC(CC1)OC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <Isomeric SMILES>
C1CCC(CC1)OC(=O)N2CCC(CC2)C3=NC(=NO3)C4=NC5=CC=CC=C5C=C4

>  <InChI Std. ID>
InChI=1S/C23H26N4O3/c28-23(29-18-7-2-1-3-8-18)27-14-12-17(13-15-27)22-25-21(26-30-22)20-11-10-16-6-4-5-9-19(16)24-20/h4-6,9-11,17-18H,1-3,7-8,12-15H2

>  <InChI Key>
BYZADBZMIADUFU-UHFFFAOYSA-N

