
 CHEMBL304896

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.8598   -0.2151    1.5961 C   0  0  0  0  0
    1.4634    0.1344    0.2437 C   0  0  0  0  0
    2.1471    1.4280    0.2528 N   0  0  0  0  0
    1.4444    2.6463   -0.0155 C   0  0  0  0  0
    0.0556    2.6482   -0.2509 C   0  0  0  0  0
   -0.6397    3.8324   -0.4922 C   0  0  0  0  0
    0.0404    5.0381   -0.4939 C   0  0  0  0  0
    1.4167    5.0567   -0.2624 C   0  0  0  0  0
    2.1507    3.8726   -0.0306 C   0  0  0  0  0
    3.6124    3.8785    0.1943 C   0  0  0  0  0
    4.2578    2.6833    0.5306 C   0  0  0  0  0
    3.4994    1.4131    0.6018 C   0  0  0  0  0
    4.0948    0.3901    0.9411 O   0  0  0  0  0
    5.6412    2.6458    0.7654 C   0  0  0  0  0
    6.4147    3.7967    0.6339 C   0  0  0  0  0
    5.8172    4.9969    0.2676 C   0  0  0  0  0
    4.4247    5.0296    0.0690 C   0  0  0  0  0
    6.5312    6.1974    0.0727 N   0  0  0  0  0
    7.9050    6.3779    0.1243 C   0  0  0  0  0
    8.7464    5.5089    0.3320 O   0  0  0  0  0
    8.3299    7.8161   -0.1297 C   0  0  0  0  0
    7.8882    8.7971    0.9302 C   0  0  0  0  0
    7.8369    8.4488    2.2841 C   0  0  0  0  0
    7.4476    9.4079    3.2063 C   0  0  0  0  0
    7.1280   10.6775    2.8784 N   0  0  0  0  0
    7.2179   11.0066    1.5738 C   0  0  0  0  0
    7.5891   10.1166    0.5771 C   0  0  0  0  0
    0.3844   -1.1998    1.5540 H   0  0  0  0  0
    0.1047    0.5159    1.8997 H   0  0  0  0  0
    1.6290   -0.2417    2.3745 H   0  0  0  0  0
    0.7137    0.0997   -0.5532 H   0  0  0  0  0
    2.1860   -0.6475   -0.0222 H   0  0  0  0  0
   -0.5302    1.7351   -0.2382 H   0  0  0  0  0
   -1.7119    3.8082   -0.6686 H   0  0  0  0  0
   -0.4962    5.9672   -0.6705 H   0  0  0  0  0
    1.8955    6.0311   -0.2619 H   0  0  0  0  0
    6.1274    1.7099    1.0353 H   0  0  0  0  0
    7.4810    3.7112    0.8193 H   0  0  0  0  0
    3.9783    5.9766   -0.2165 H   0  0  0  0  0
    5.9774    7.0221   -0.1336 H   0  0  0  0  0
    7.9319    8.1069   -1.1101 H   0  0  0  0  0
    9.4239    7.8484   -0.2034 H   0  0  0  0  0
    8.0958    7.4516    2.6314 H   0  0  0  0  0
    7.3864    9.1724    4.2651 H   0  0  0  0  0
    6.9807   12.0408    1.3409 H   0  0  0  0  0
    7.6511   10.4578   -0.4507 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 17  1  0  0  0
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 11 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 39  1  0  0  0
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 18 40  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 24 25  2  0  0  0
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 27 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL304896

>  <PubChem CID>
10247746

>  <Formula>
C22H19N3O2

>  <Molecular Weight>
357.413000

>  <IUPAC Name>
N-(5-ethyl-6-oxophenanthridin-9-yl)-2-pyridin-4-ylacetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCN1C2=CC=CC=C2C3=C(C1=O)C=CC(=C3)NC(=O)CC4=CC=NC=C4

>  <Isomeric SMILES>
CCN1C2=CC=CC=C2C3=C(C1=O)C=CC(=C3)NC(=O)CC4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C22H19N3O2/c1-2-25-20-6-4-3-5-17(20)19-14-16(7-8-18(19)22(25)27)24-21(26)13-15-9-11-23-12-10-15/h3-12,14H,2,13H2,1H3,(H,24,26)

>  <InChI Key>
AVGCFTCKHIHCOQ-UHFFFAOYSA-N

