
 CHEMBL1823015

 42 44  0  0  0  0  0  0  0  0999 V2000
    5.1595   -0.7476    3.5966 C   0  0  0  0  0
    4.3669    0.3355    2.9144 C   0  0  0  0  0
    3.1573    0.4506    3.0686 O   0  0  0  0  0
    5.1188    1.1506    2.1087 N   0  0  0  0  0
    4.5790    2.3106    1.4221 C   0  0  0  0  0
    5.1313    2.4755    0.0007 C   0  0  0  0  0
    6.6160    2.7093   -0.0395 C   0  0  0  0  0
    7.3248    3.9077   -0.1552 C   0  0  0  0  0
    8.6676    3.5673   -0.1375 N   0  0  0  0  0
    8.8427    2.2112   -0.0628 C   0  0  0  0  0
    7.5762    1.6549    0.0048 C   0  0  0  0  0
    7.3583    0.3218    0.1163 N   0  0  0  0  0
    8.4714   -0.4384    0.1061 C   0  0  0  0  0
    9.7717    0.0453    0.0376 C   0  0  0  0  0
    9.9898    1.4191   -0.0436 C   0  0  0  0  0
    8.3544   -1.8162    0.1843 O   0  0  0  0  0
    7.0041   -2.2668    0.1234 C   0  0  0  0  0
    6.9030    5.3134   -0.2718 C   0  0  0  0  0
    7.6546    6.2222   -1.0353 C   0  0  0  0  0
    7.2770    7.5650   -1.1382 C   0  0  0  0  0
    6.1330    8.0191   -0.4896 C   0  0  0  0  0
    5.3720    7.1327    0.2655 C   0  0  0  0  0
    5.7598    5.7935    0.3784 C   0  0  0  0  0
    6.2344   -0.5473    3.5578 H   0  0  0  0  0
    4.9573   -1.7045    3.1094 H   0  0  0  0  0
    4.8621   -0.7970    4.6476 H   0  0  0  0  0
    6.1132    0.9708    2.0165 H   0  0  0  0  0
    4.8286    3.1770    2.0431 H   0  0  0  0  0
    3.4872    2.2369    1.3824 H   0  0  0  0  0
    4.6100    3.2983   -0.5008 H   0  0  0  0  0
    4.8983    1.5736   -0.5808 H   0  0  0  0  0
    9.4243    4.2353   -0.1722 H   0  0  0  0  0
   10.6080   -0.6454    0.0446 H   0  0  0  0  0
   10.9881    1.8369   -0.0980 H   0  0  0  0  0
    7.0163   -3.3610    0.1421 H   0  0  0  0  0
    6.5196   -1.9555   -0.8087 H   0  0  0  0  0
    6.4355   -1.9262    0.9947 H   0  0  0  0  0
    8.5388    5.8982   -1.5777 H   0  0  0  0  0
    7.8740    8.2535   -1.7311 H   0  0  0  0  0
    5.8336    9.0605   -0.5735 H   0  0  0  0  0
    4.4760    7.4807    0.7732 H   0  0  0  0  0
    5.1534    5.1412    0.9962 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  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  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
 14 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  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>
CHEMBL1823015

>  <PubChem CID>
56659223

>  <Formula>
C18H19N3O2

>  <Molecular Weight>
309.369000

>  <IUPAC Name>
N-[2-(5-methoxy-2-phenyl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC1=C(NC2=C1N=C(C=C2)OC)C3=CC=CC=C3

>  <Isomeric SMILES>
CC(=O)NCCC1=C(NC2=C1N=C(C=C2)OC)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C18H19N3O2/c1-12(22)19-11-10-14-17(13-6-4-3-5-7-13)20-15-8-9-16(23-2)21-18(14)15/h3-9,20H,10-11H2,1-2H3,(H,19,22)

>  <InChI Key>
ALALJKSOACBDAH-UHFFFAOYSA-N

