
 CHEMBL2153444

 58 61  0  0  0  0  0  0  0  0999 V2000
    3.1572   -1.6560    1.9053 C   0  0  0  0  0
    3.3599   -0.2973    2.5560 C   0  0  0  0  0
    3.3558    0.8223    1.5465 C   0  0  0  0  0
    2.1730    1.5008    1.2418 C   0  0  0  0  0
    2.1837    2.5436    0.3190 C   0  0  0  0  0
    3.3768    2.9171   -0.3063 C   0  0  0  0  0
    4.5839    2.2476   -0.0409 C   0  0  0  0  0
    4.5421    1.1904    0.8895 C   0  0  0  0  0
    5.8506    2.6434   -0.7011 C   0  0  0  0  0
    7.0745    2.6139   -0.0081 C   0  0  0  0  0
    8.2765    2.9785   -0.6250 C   0  0  0  0  0
    8.2890    3.4045   -1.9557 C   0  0  0  0  0
    7.0817    3.4393   -2.6622 C   0  0  0  0  0
    5.8828    3.0634   -2.0426 C   0  0  0  0  0
    9.5799    3.7693   -2.6379 C   0  0  0  0  0
   10.0990    2.6291   -3.3555 N   0  0  0  0  0
   10.3750    2.6705   -4.6989 C   0  0  0  0  0
   10.2346    3.6687   -5.3938 O   0  0  0  0  0
   10.8232    1.3440   -5.2782 C   0  0  0  0  0
    9.6586    0.3713   -5.4443 C   0  0  0  0  0
    8.6274    0.8747   -6.4580 C   0  0  0  0  0
    7.5318   -0.1351   -6.6868 C   0  0  0  0  0
    7.7171   -1.0135   -7.7019 N   0  0  0  0  0
    6.7763   -1.9198   -7.9739 C   0  0  0  0  0
    5.5952   -1.9869   -7.2081 C   0  0  0  0  0
    4.6246   -2.9460   -7.5316 C   0  0  0  0  0
    4.8447   -3.8056   -8.5964 C   0  0  0  0  0
    6.0306   -3.6726   -9.2889 C   0  0  0  0  0
    6.9798   -2.7581   -8.9924 N   0  0  0  0  0
    5.4217   -1.0915   -6.1454 C   0  0  0  0  0
    6.4054   -0.1510   -5.8779 C   0  0  0  0  0
    3.1748   -2.4441    2.6648 H   0  0  0  0  0
    3.9453   -1.8702    1.1761 H   0  0  0  0  0
    2.1945   -1.7068    1.3855 H   0  0  0  0  0
    4.3085   -0.2881    3.1073 H   0  0  0  0  0
    2.5762   -0.1244    3.3035 H   0  0  0  0  0
    1.2386    1.2257    1.7264 H   0  0  0  0  0
    1.2635    3.0760    0.0920 H   0  0  0  0  0
    3.3521    3.7554   -0.9988 H   0  0  0  0  0
    5.4498    0.6318    1.1105 H   0  0  0  0  0
    7.1063    2.3153    1.0376 H   0  0  0  0  0
    9.1991    2.9327   -0.0520 H   0  0  0  0  0
    7.0673    3.7586   -3.7025 H   0  0  0  0  0
    4.9693    3.0953   -2.6313 H   0  0  0  0  0
   10.3353    4.0623   -1.8991 H   0  0  0  0  0
    9.4306    4.6266   -3.3014 H   0  0  0  0  0
   10.2268    1.7648   -2.8427 H   0  0  0  0  0
   11.5797    0.9125   -4.6140 H   0  0  0  0  0
   11.3158    1.5334   -6.2392 H   0  0  0  0  0
    9.1721    0.1927   -4.4765 H   0  0  0  0  0
   10.0582   -0.5954   -5.7753 H   0  0  0  0  0
    9.1196    1.0838   -7.4161 H   0  0  0  0  0
    8.1799    1.8193   -6.1269 H   0  0  0  0  0
    3.7025   -3.0200   -6.9619 H   0  0  0  0  0
    4.1152   -4.5564   -8.8777 H   0  0  0  0  0
    6.2628   -4.3164  -10.1327 H   0  0  0  0  0
    4.5251   -1.1189   -5.5318 H   0  0  0  0  0
    6.2883    0.5568   -5.0633 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  5  6  2  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 12  2  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 48  1  0  0  0
 19 49  1  0  0  0
 20 21  1  0  0  0
 20 50  1  0  0  0
 20 51  1  0  0  0
 21 22  1  0  0  0
 21 52  1  0  0  0
 21 53  1  0  0  0
 22 31  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 27 55  1  0  0  0
 28 29  2  0  0  0
 28 56  1  0  0  0
 30 31  2  0  0  0
 30 57  1  0  0  0
 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153444

>  <PubChem CID>
71454857

>  <Formula>
C27H27N3O

>  <Molecular Weight>
409.533000

>  <IUPAC Name>
N-[[4-(3-ethylphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=CC=CC(=C1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <Isomeric SMILES>
CCC1=CC=CC(=C1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <InChI Std. ID>
InChI=1S/C27H27N3O/c1-2-20-6-3-7-24(18-20)22-13-11-21(12-14-22)19-29-26(31)10-4-9-25-16-15-23-8-5-17-28-27(23)30-25/h3,5-8,11-18H,2,4,9-10,19H2,1H3,(H,29,31)

>  <InChI Key>
FKUWIZCOCSEJIY-UHFFFAOYSA-N

