
 CHEMBL54914

 37 40  0  0  0  0  0  0  0  0999 V2000
    0.7710    0.6606   -0.2852 C   0  0  0  0  0
    0.7011    1.4606   -1.5057 N   0  0  0  0  0
    1.9602    2.1967   -1.7515 C   0  0  0  0  0
    3.1417    1.3356   -2.2517 C   0  0  0  0  0
    2.7512    0.5725   -3.4510 N   0  0  0  0  0
    1.5485   -0.2498   -3.2123 C   0  0  0  0  0
    0.3879    0.6264   -2.6880 C   0  0  0  0  0
    3.7447    0.0651   -4.2828 C   0  0  0  0  0
    3.7923   -1.2265   -4.5058 N   0  0  0  0  0
    4.7945   -1.7667   -5.3413 C   0  0  0  0  0
    5.7860   -1.0094   -5.9725 C   0  0  0  0  0
    6.7620   -1.5044   -6.7810 N   0  0  0  0  0
    6.7430   -2.8397   -6.9715 C   0  0  0  0  0
    5.8071   -3.6885   -6.3965 C   0  0  0  0  0
    4.8246   -3.1398   -5.5704 C   0  0  0  0  0
    5.7035    0.3738   -5.7375 N   0  0  0  0  0
    4.7206    0.9196   -4.9439 C   0  0  0  0  0
    4.8629    2.2955   -5.0074 C   0  0  0  0  0
    5.9997    2.5786   -5.8040 C   0  0  0  0  0
    6.5044    1.3725   -6.2365 C   0  0  0  0  0
   -0.1895    0.1670   -0.0993 H   0  0  0  0  0
    0.9601    1.3053    0.5804 H   0  0  0  0  0
    1.5491   -0.1084   -0.3138 H   0  0  0  0  0
    2.2589    2.7429   -0.8483 H   0  0  0  0  0
    1.7513    2.9659   -2.5068 H   0  0  0  0  0
    3.9886    1.9979   -2.4508 H   0  0  0  0  0
    3.4676    0.6401   -1.4685 H   0  0  0  0  0
    1.2211   -0.7186   -4.1484 H   0  0  0  0  0
    1.7778   -1.0510   -2.4998 H   0  0  0  0  0
    0.0796    1.3049   -3.4947 H   0  0  0  0  0
   -0.4858   -0.0045   -2.4838 H   0  0  0  0  0
    7.5227   -3.2270   -7.6215 H   0  0  0  0  0
    5.8395   -4.7555   -6.5870 H   0  0  0  0  0
    4.0788   -3.7791   -5.1073 H   0  0  0  0  0
    4.2140    3.0219   -4.5352 H   0  0  0  0  0
    6.3971    3.5553   -6.0500 H   0  0  0  0  0
    7.3466    1.1351   -6.8733 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 17  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL54914

>  <PubChem CID>
19978038

>  <Formula>
C15H17N5

>  <Molecular Weight>
267.336000

>  <IUPAC Name>


>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC3=C(N=CC=C3)N4C2=CC=C4

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC3=C(N=CC=C3)N4C2=CC=C4

>  <InChI Std. ID>
InChI=1S/C15H17N5/c1-18-8-10-19(11-9-18)15-13-5-3-7-20(13)14-12(17-15)4-2-6-16-14/h2-7H,8-11H2,1H3

>  <InChI Key>
AJVFZHILGGIADJ-UHFFFAOYSA-N

