
 CHEMBL3771307

 49 53  0  0  0  0  0  0  0  0999 V2000
    0.8624    0.2260   -1.7539 C   0  0  0  0  0
    2.1737   -0.1120   -1.1509 C   0  0  0  0  0
    2.8105   -1.3175   -0.9271 C   0  0  0  0  0
    4.0329   -1.1431   -0.3322 N   0  0  0  0  0
    4.1592    0.1554   -0.1797 C   0  0  0  0  0
    3.0617    0.8402   -0.6819 N   0  0  0  0  0
    2.9576    2.2320   -0.6780 C   0  0  0  0  0
    3.9445    3.0007   -0.1585 C   0  0  0  0  0
    5.1027    2.2796    0.3977 C   0  0  0  0  0
    5.2017    0.9356    0.3829 C   0  0  0  0  0
    3.9077    4.4039   -0.1296 N   0  0  0  0  0
    3.2489    5.0278   -1.1858 C   0  0  0  0  0
    3.1578    6.3598   -1.2723 C   0  0  0  0  0
    3.7431    7.2046   -0.2666 C   0  0  0  0  0
    4.3874    6.6497    0.7695 C   0  0  0  0  0
    4.5117    5.1672    0.8868 C   0  0  0  0  0
    5.0986    4.7371    1.8785 O   0  0  0  0  0
    3.5689    8.5376   -0.5337 O   0  0  0  0  0
    4.1079    9.4940    0.3780 C   0  0  0  0  0
    4.1815   10.8262   -0.3283 C   0  0  0  0  0
    3.4670   11.9382    0.1374 C   0  0  0  0  0
    3.5732   13.1694   -0.5160 C   0  0  0  0  0
    4.3934   13.2924   -1.6364 C   0  0  0  0  0
    5.1057   12.1958   -2.1144 C   0  0  0  0  0
    4.9996   10.9673   -1.4613 C   0  0  0  0  0
    4.5429   14.9603   -2.5138 Br  0  0  0  0  0
    2.2547   -2.6838   -1.2890 C   0  0  0  0  0
    3.2259   -3.7324   -1.7911 C   0  0  0  0  0
    2.6454   -3.8658   -0.4258 C   0  0  0  0  0
    0.3029   -0.6675   -2.0429 H   0  0  0  0  0
    0.9986    0.8362   -2.6527 H   0  0  0  0  0
    0.2447    0.7859   -1.0441 H   0  0  0  0  0
    2.0373    2.6306   -1.0794 H   0  0  0  0  0
    5.9315    2.8470    0.8092 H   0  0  0  0  0
    6.0693    0.4265    0.7873 H   0  0  0  0  0
    2.8365    4.4243   -1.9877 H   0  0  0  0  0
    2.6568    6.8299   -2.1136 H   0  0  0  0  0
    4.8537    7.2067    1.5696 H   0  0  0  0  0
    5.1255    9.2328    0.6922 H   0  0  0  0  0
    3.4626    9.5492    1.2626 H   0  0  0  0  0
    2.8233   11.8568    1.0105 H   0  0  0  0  0
    3.0152   14.0243   -0.1434 H   0  0  0  0  0
    5.7450   12.2846   -2.9885 H   0  0  0  0  0
    5.5566   10.1124   -1.8403 H   0  0  0  0  0
    1.2623   -2.6970   -1.7235 H   0  0  0  0  0
    4.2741   -3.4655   -1.8740 H   0  0  0  0  0
    2.8798   -4.4078   -2.5641 H   0  0  0  0  0
    1.9020   -4.6353   -0.2581 H   0  0  0  0  0
    3.3011   -3.6929    0.4210 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  2  0  0  0
 22 42  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 27 45  1  0  0  0
 28 29  1  0  0  0
 28 46  1  0  0  0
 28 47  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3771307

>  <PubChem CID>
89689924

>  <Formula>
C23H20BrN3O2

>  <Molecular Weight>
450.336000

>  <IUPAC Name>
4-[(4-bromophenyl)methoxy]-1-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)C5CC5

>  <Isomeric SMILES>
CC1=C(N=C2N1C=C(C=C2)N3C=CC(=CC3=O)OCC4=CC=C(C=C4)Br)C5CC5

>  <InChI Std. ID>
InChI=1S/C23H20BrN3O2/c1-15-23(17-4-5-17)25-21-9-8-19(13-27(15)21)26-11-10-20(12-22(26)28)29-14-16-2-6-18(24)7-3-16/h2-3,6-13,17H,4-5,14H2,1H3

>  <InChI Key>
CLSPCTXAOINBRJ-UHFFFAOYSA-N

