
 CHEMBL53490

 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.9304   -0.6871    2.3119 C   0  0  0  0  0
   -1.4322   -1.4793    1.0814 C   0  0  0  0  0
   -1.3059   -0.5966   -0.0964 N   0  0  0  0  0
   -0.4641    0.5824    0.1991 C   0  0  0  0  0
   -0.9745    1.3394    1.4445 C   0  0  0  0  0
   -1.0830    0.4772    2.6432 N   0  0  0  0  0
   -2.4117   -0.4336   -0.9302 C   0  0  0  0  0
   -2.8908    0.7699   -1.1303 N   0  0  0  0  0
   -4.0296    0.9583   -1.9424 C   0  0  0  0  0
   -4.7174   -0.0761   -2.5847 C   0  0  0  0  0
   -5.8216    0.0768   -3.3645 N   0  0  0  0  0
   -6.2649    1.3431   -3.5089 C   0  0  0  0  0
   -5.6618    2.4451   -2.9182 C   0  0  0  0  0
   -4.5310    2.2436   -2.1257 C   0  0  0  0  0
   -4.1680   -1.3541   -2.3862 N   0  0  0  0  0
   -3.0490   -1.5531   -1.6092 C   0  0  0  0  0
   -2.7215   -2.8951   -1.7002 C   0  0  0  0  0
   -3.7051   -3.5286   -2.5000 C   0  0  0  0  0
   -4.5913   -2.5546   -2.9039 C   0  0  0  0  0
   -2.9586   -0.3444    2.1435 H   0  0  0  0  0
   -1.9580   -1.3537    3.1807 H   0  0  0  0  0
   -2.1151   -2.3143    0.8999 H   0  0  0  0  0
   -0.4496   -1.9171    1.2977 H   0  0  0  0  0
    0.5612    0.2361    0.3809 H   0  0  0  0  0
   -0.4096    1.2570   -0.6632 H   0  0  0  0  0
   -0.2872    2.1618    1.6718 H   0  0  0  0  0
   -1.9520    1.7938    1.2450 H   0  0  0  0  0
   -0.1494    0.1393    2.8769 H   0  0  0  0  0
   -7.1472    1.4575   -4.1328 H   0  0  0  0  0
   -6.0629    3.4413   -3.0697 H   0  0  0  0  0
   -4.0390    3.0862   -1.6484 H   0  0  0  0  0
   -1.8632   -3.3692   -1.2424 H   0  0  0  0  0
   -3.7547   -4.5770   -2.7649 H   0  0  0  0  0
   -5.4722   -2.6024   -3.5307 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 16  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL53490

>  <PubChem CID>
10753377

>  <Formula>
C14H15N5

>  <Molecular Weight>
253.309000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1)C2=NC3=C(N=CC=C3)N4C2=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1)C2=NC3=C(N=CC=C3)N4C2=CC=C4

>  <InChI Std. ID>
InChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2

>  <InChI Key>
BBZRRZHQHYRCIA-UHFFFAOYSA-N

