
 CHEMBL355898

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.9252   -1.2310   -1.0686 C   0  0  0  0  0
    2.3510   -0.8959   -0.8568 C   0  0  0  0  0
    2.9227    0.3300   -0.5867 C   0  0  0  0  0
    4.2691    0.0816   -0.4862 N   0  0  0  0  0
    4.4658   -1.2633   -0.6983 C   0  0  0  0  0
    3.3173   -1.8675   -0.9227 N   0  0  0  0  0
    5.7127   -1.7859   -0.6605 N   0  0  0  0  0
    6.7014   -0.9813   -0.4130 C   0  0  0  0  0
    6.5621    0.3773   -0.1774 N   0  0  0  0  0
    5.3752    0.8784   -0.2181 C   0  0  0  0  0
    5.0565    2.2081    0.0026 N   0  0  0  0  0
    5.8156    3.2913    0.3991 C   0  0  0  0  0
    5.2191    4.3517    0.5962 O   0  0  0  0  0
    7.3215    3.1563    0.5456 C   0  0  0  0  0
    8.0207    3.2961   -0.8066 C   0  0  0  0  0
    9.4304    3.7222   -0.4337 C   0  0  0  0  0
    9.2141    4.7209    0.6903 C   0  0  0  0  0
    7.9563    4.2513    1.4209 C   0  0  0  0  0
    8.0992   -1.5168   -0.3741 C   0  0  0  0  0
    9.1908   -0.6730   -0.1297 C   0  0  0  0  0
   10.4897   -1.1874   -0.1098 C   0  0  0  0  0
   10.7065   -2.5466   -0.3310 C   0  0  0  0  0
    9.6266   -3.3947   -0.5714 C   0  0  0  0  0
    8.3266   -2.8832   -0.5932 C   0  0  0  0  0
    0.7778   -2.3151   -1.1000 H   0  0  0  0  0
    0.5726   -0.8104   -2.0151 H   0  0  0  0  0
    0.3096   -0.8281   -0.2584 H   0  0  0  0  0
    2.4741    1.3042   -0.4676 H   0  0  0  0  0
    4.0885    2.4911   -0.0492 H   0  0  0  0  0
    7.5647    2.1996    1.0165 H   0  0  0  0  0
    7.5411    4.0699   -1.4192 H   0  0  0  0  0
    8.0170    2.3693   -1.3868 H   0  0  0  0  0
   10.0031    2.8614   -0.0698 H   0  0  0  0  0
    9.9719    4.1604   -1.2769 H   0  0  0  0  0
   10.0788    4.7789    1.3588 H   0  0  0  0  0
    9.0467    5.7225    0.2769 H   0  0  0  0  0
    8.2212    3.8309    2.3982 H   0  0  0  0  0
    7.2955    5.1015    1.6174 H   0  0  0  0  0
    9.0448    0.3882    0.0447 H   0  0  0  0  0
   11.3324   -0.5264    0.0774 H   0  0  0  0  0
   11.7174   -2.9455   -0.3169 H   0  0  0  0  0
    9.7940   -4.4550   -0.7437 H   0  0  0  0  0
    7.4955   -3.5588   -0.7840 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 19  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 18  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
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 17 35  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
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 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL355898

>  <PubChem CID>
11759055

>  <Formula>
C18H19N5O

>  <Molecular Weight>
321.384000

>  <IUPAC Name>
N-(7-methyl-2-phenylimidazo[1,2-a][1,3,5]triazin-4-yl)cyclopentanecarboxamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN2C(=N1)N=C(N=C2NC(=O)C3CCCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CN2C(=N1)N=C(N=C2NC(=O)C3CCCC3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H19N5O/c1-12-11-23-17(19-12)20-15(13-7-3-2-4-8-13)21-18(23)22-16(24)14-9-5-6-10-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,19,20,21,22,24)

>  <InChI Key>
BSNJZTLENAKNNX-UHFFFAOYSA-N

