
 CHEMBL2112935

 49 53  0  0  0  0  0  0  0  0999 V2000
   -1.6366    1.8265    0.8885 C   0  0  0  0  0
   -0.9093    3.0132    0.9344 C   0  0  0  0  0
    0.4751    2.9954    0.7361 C   0  0  0  0  0
    1.1504    1.7902    0.4888 C   0  0  0  0  0
    0.4026    0.6048    0.4459 C   0  0  0  0  0
   -0.9813    0.6220    0.6446 C   0  0  0  0  0
    2.5894    1.7415    0.2635 C   0  0  0  0  0
    3.4529    2.8219    0.2544 C   0  0  0  0  0
    4.6817    2.3003   -0.0395 N   0  0  0  0  0
    5.9169    2.8886   -0.1992 C   0  0  0  0  0
    6.9734    2.1082   -0.5133 C   0  0  0  0  0
    6.8582    0.7308   -0.6811 N   0  0  0  0  0
    5.6867    0.1679   -0.5308 C   0  0  0  0  0
    4.5242    0.9512   -0.1897 C   0  0  0  0  0
    3.2815    0.5691    0.0072 N   0  0  0  0  0
    5.5461   -1.3257   -0.7209 C   0  0  0  0  0
    6.3845   -2.1140    0.2863 C   0  0  0  0  0
    6.0363   -1.8549    1.7534 C   0  0  0  0  0
    4.6578   -2.2118    2.0615 N   0  0  0  0  0
    8.2944    2.6403   -0.7233 C   0  0  0  0  0
    8.5596    3.9134   -1.1947 C   0  0  0  0  0
    9.9174    4.0687   -1.2718 N   0  0  0  0  0
   10.5535    2.9246   -0.8537 C   0  0  0  0  0
   11.9227    2.6429   -0.7637 C   0  0  0  0  0
   12.2974    1.3794   -0.3001 C   0  0  0  0  0
   11.3388    0.4374    0.0605 C   0  0  0  0  0
    9.9746    0.7367   -0.0353 C   0  0  0  0  0
    9.5618    2.0035   -0.5046 C   0  0  0  0  0
   -2.7127    1.8403    1.0411 H   0  0  0  0  0
   -1.4186    3.9551    1.1223 H   0  0  0  0  0
    1.0078    3.9408    0.7753 H   0  0  0  0  0
    0.8961   -0.3458    0.2512 H   0  0  0  0  0
   -1.5449   -0.3068    0.6054 H   0  0  0  0  0
    3.3084    3.8811    0.4073 H   0  0  0  0  0
    5.9765    3.9597   -0.0622 H   0  0  0  0  0
    5.8946   -1.5614   -1.7339 H   0  0  0  0  0
    4.4953   -1.6283   -0.6726 H   0  0  0  0  0
    7.4460   -1.8794    0.1391 H   0  0  0  0  0
    6.2747   -3.1843    0.0700 H   0  0  0  0  0
    6.2136   -0.8067    2.0169 H   0  0  0  0  0
    6.7018   -2.4576    2.3816 H   0  0  0  0  0
    4.0147   -1.5762    1.5832 H   0  0  0  0  0
    4.4878   -2.0698    3.0568 H   0  0  0  0  0
    7.9052    4.7189   -1.4980 H   0  0  0  0  0
   10.3925    4.9006   -1.5927 H   0  0  0  0  0
   12.6725    3.3752   -1.0446 H   0  0  0  0  0
   13.3528    1.1295   -0.2213 H   0  0  0  0  0
   11.6482   -0.5414    0.4175 H   0  0  0  0  0
    9.2370   -0.0080    0.2471 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 16 37  1  0  0  0
 17 18  1  0  0  0
 17 38  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 28  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2112935

>  <PubChem CID>
71461645

>  <Formula>
C23H21N5

>  <Molecular Weight>
367.456000

>  <IUPAC Name>
3-[6-(1H-indol-3-yl)-2-phenylimidazo[1,2-a]pyrazin-8-yl]propan-1-amine

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CN3C=C(N=C(C3=N2)CCCN)C4=CNC5=CC=CC=C54

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CN3C=C(N=C(C3=N2)CCCN)C4=CNC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C23H21N5/c24-12-6-11-20-23-27-21(16-7-2-1-3-8-16)14-28(23)15-22(26-20)18-13-25-19-10-5-4-9-17(18)19/h1-5,7-10,13-15,25H,6,11-12,24H2

>  <InChI Key>
AAYVGUAQQMAZPE-UHFFFAOYSA-N

