
 CHEMBL80189

 42 45  0  0  0  0  0  0  0  0999 V2000
    3.6706   -0.5905   -3.1711 C   0  0  0  0  0
    3.9514   -0.2376   -1.7762 N   0  0  0  0  0
    4.8810   -1.2134   -1.2015 C   0  0  0  0  0
    4.4950    1.1363   -1.7091 C   0  0  0  0  0
    4.5829    1.7001   -0.2799 C   0  0  0  0  0
    5.1134    3.1028   -0.2607 C   0  0  0  0  0
    4.3690    4.2657   -0.2933 C   0  0  0  0  0
    5.2304    5.3286   -0.2543 N   0  0  0  0  0
    6.5307    4.8847   -0.1980 C   0  0  0  0  0
    6.4904    3.4937   -0.2042 C   0  0  0  0  0
    7.7105    2.7811   -0.1577 C   0  0  0  0  0
    8.9363    3.4667   -0.1053 C   0  0  0  0  0
    8.9250    4.8714   -0.0943 C   0  0  0  0  0
    7.7277    5.6013   -0.1409 C   0  0  0  0  0
   10.1771    2.7487   -0.0678 N   0  0  0  0  0
   11.4430    3.3108   -0.0133 C   0  0  0  0  0
   12.4167    2.4271    0.0018 N   0  0  0  0  0
   11.7819    1.2214   -0.0418 C   0  0  0  0  0
   10.3962    1.3722   -0.0836 C   0  0  0  0  0
    9.4928    0.3642   -0.1318 N   0  0  0  0  0
   10.0540   -0.8660   -0.1352 C   0  0  0  0  0
   11.4145   -1.1386   -0.0974 C   0  0  0  0  0
   12.3125   -0.0743   -0.0500 C   0  0  0  0  0
    2.9334    0.0962   -3.6021 H   0  0  0  0  0
    3.2336   -1.5935   -3.2343 H   0  0  0  0  0
    4.5722   -0.5665   -3.7938 H   0  0  0  0  0
    4.4888   -2.2309   -1.3141 H   0  0  0  0  0
    5.0038   -1.0579   -0.1256 H   0  0  0  0  0
    5.8684   -1.1740   -1.6754 H   0  0  0  0  0
    3.8344    1.8027   -2.2813 H   0  0  0  0  0
    5.4781    1.1847   -2.1973 H   0  0  0  0  0
    5.2320    1.0770    0.3455 H   0  0  0  0  0
    3.5894    1.6804    0.1858 H   0  0  0  0  0
    3.2995    4.4233   -0.3390 H   0  0  0  0  0
    4.9551    6.3007   -0.2642 H   0  0  0  0  0
    7.6490    1.7000   -0.1641 H   0  0  0  0  0
    9.8371    5.4585   -0.0512 H   0  0  0  0  0
    7.7392    6.6868   -0.1331 H   0  0  0  0  0
   11.6127    4.3769    0.0137 H   0  0  0  0  0
    9.3383   -1.6849   -0.1704 H   0  0  0  0  0
   11.7712   -2.1628   -0.1047 H   0  0  0  0  0
   13.3842   -0.2318   -0.0198 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 19  1  0  0  0
 16 17  2  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL80189

>  <PubChem CID>
11722647

>  <Formula>
C18H19N5

>  <Molecular Weight>
305.385000

>  <IUPAC Name>
2-(5-imidazo[4,5-b]pyridin-3-yl-1H-indol-3-yl)-N,N-dimethylethanamine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)N3C=NC4=C3N=CC=C4

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)N3C=NC4=C3N=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H19N5/c1-22(2)9-7-13-11-20-16-6-5-14(10-15(13)16)23-12-21-17-4-3-8-19-18(17)23/h3-6,8,10-12,20H,7,9H2,1-2H3

>  <InChI Key>
SZSNAHWJFCIUBV-UHFFFAOYSA-N

