
 CHEMBL1823835

 50 54  0  0  0  0  0  0  0  0999 V2000
    0.5916    1.8314    0.3573 C   0  0  0  0  0
   -0.9273    1.6415    0.4237 C   0  0  0  0  0
   -1.2794    0.3131   -0.0711 N   0  0  0  0  0
   -0.6609   -0.7854    0.6659 C   0  0  0  0  0
    0.8621   -0.6774    0.6161 C   0  0  0  0  0
    1.3554    0.7048    1.0792 C   0  0  0  0  0
    1.2814    0.8580    2.5635 C   0  0  0  0  0
    0.7198    0.0932    3.4683 N   0  0  0  0  0
    1.0135    0.7455    4.6526 C   0  0  0  0  0
    1.7142    1.8820    4.4732 N   0  0  0  0  0
    1.9002    1.9497    3.0961 O   0  0  0  0  0
    0.6034    0.2397    5.9688 C   0  0  0  0  0
   -0.0695   -0.9416    5.9909 N   0  0  0  0  0
   -0.4539   -1.4453    7.1770 C   0  0  0  0  0
   -1.1377   -2.6531    7.2180 C   0  0  0  0  0
   -1.5597   -3.2203    8.4250 C   0  0  0  0  0
   -1.2961   -2.5704    9.6252 C   0  0  0  0  0
   -0.6111   -1.3575    9.6146 C   0  0  0  0  0
   -0.1886   -0.7917    8.3983 C   0  0  0  0  0
    0.5027    0.4230    8.3551 C   0  0  0  0  0
    0.9044    0.9456    7.1294 C   0  0  0  0  0
   -1.6866    0.0735   -1.3800 C   0  0  0  0  0
   -1.3866   -0.9568   -1.9744 O   0  0  0  0  0
   -2.5004    1.0540   -1.8966 N   0  0  0  0  0
   -3.0532    1.0650   -3.2019 C   0  0  0  0  0
   -4.2371    1.7624   -3.4643 C   0  0  0  0  0
   -4.8585    1.8214   -4.6650 N   0  0  0  0  0
   -4.2629    1.1544   -5.6740 C   0  0  0  0  0
   -3.0750    0.4539   -5.5372 C   0  0  0  0  0
   -2.4624    0.4137   -4.2839 C   0  0  0  0  0
   -5.0711    2.6238   -2.2240 Cl  0  0  0  0  0
    0.8987    1.8329   -0.6973 H   0  0  0  0  0
    0.8584    2.8136    0.7649 H   0  0  0  0  0
   -1.4060    2.4287   -0.1654 H   0  0  0  0  0
   -1.2907    1.7274    1.4532 H   0  0  0  0  0
   -1.0325   -0.7406    1.6953 H   0  0  0  0  0
   -0.9810   -1.7504    0.2574 H   0  0  0  0  0
    1.3104   -1.4783    1.2163 H   0  0  0  0  0
    1.1923   -0.8345   -0.4192 H   0  0  0  0  0
    2.4170    0.7855    0.8092 H   0  0  0  0  0
   -1.3474   -3.1684    6.2834 H   0  0  0  0  0
   -2.0926   -4.1677    8.4208 H   0  0  0  0  0
   -1.6220   -3.0063   10.5663 H   0  0  0  0  0
   -0.4082   -0.8558   10.5579 H   0  0  0  0  0
    0.7332    0.9659    9.2682 H   0  0  0  0  0
    1.4439    1.8869    7.0930 H   0  0  0  0  0
   -3.0227    1.5698   -1.1997 H   0  0  0  0  0
   -4.7790    1.1982   -6.6294 H   0  0  0  0  0
   -2.6321   -0.0562   -6.3864 H   0  0  0  0  0
   -1.5250   -0.1254   -4.1787 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4 36  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  7  1  0  0  0
  6 40  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 21  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 31  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28 48  1  0  0  0
 29 30  2  0  0  0
 29 49  1  0  0  0
 30 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1823835

>  <PubChem CID>
44628288

>  <Formula>
C22H19ClN6O2

>  <Molecular Weight>
434.884000

>  <IUPAC Name>
N-(2-chloropyridin-3-yl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCC1C2=NC(=NO2)C3=NC4=CC=CC=C4C=C3)C(=O)NC5=C(N=CC=C5)Cl

>  <Isomeric SMILES>
C1CN(CCC1C2=NC(=NO2)C3=NC4=CC=CC=C4C=C3)C(=O)NC5=C(N=CC=C5)Cl

>  <InChI Std. ID>
InChI=1S/C22H19ClN6O2/c23-19-17(6-3-11-24-19)26-22(30)29-12-9-15(10-13-29)21-27-20(28-31-21)18-8-7-14-4-1-2-5-16(14)25-18/h1-8,11,15H,9-10,12-13H2,(H,26,30)

>  <InChI Key>
BFWZTOPZYNMTBX-UHFFFAOYSA-N

