
 CHEMBL2153439

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.0091    0.4797   -1.1113 C   0  0  0  0  0
    2.2855    0.1228   -0.4086 C   0  0  0  0  0
    2.7549    0.8986    0.6529 C   0  0  0  0  0
    3.9352    0.5485    1.3046 C   0  0  0  0  0
    4.6508   -0.5825    0.9032 C   0  0  0  0  0
    4.1986   -1.4038   -0.1435 C   0  0  0  0  0
    2.9978   -1.0298   -0.7802 C   0  0  0  0  0
    4.9481   -2.6128   -0.5608 C   0  0  0  0  0
    5.0157   -3.0066   -1.9097 C   0  0  0  0  0
    5.7042   -4.1596   -2.3060 C   0  0  0  0  0
    6.3674   -4.9488   -1.3638 C   0  0  0  0  0
    6.3210   -4.5672   -0.0184 C   0  0  0  0  0
    5.6176   -3.4211    0.3739 C   0  0  0  0  0
    7.0791   -6.2082   -1.7762 C   0  0  0  0  0
    6.3144   -7.3739   -1.4021 N   0  0  0  0  0
    6.8062   -8.6396   -1.6011 C   0  0  0  0  0
    7.9010   -8.8721   -2.1025 O   0  0  0  0  0
    5.8752   -9.7420   -1.1480 C   0  0  0  0  0
    4.7616   -9.9845   -2.1605 C   0  0  0  0  0
    3.8441  -11.1158   -1.6957 C   0  0  0  0  0
    2.7407  -11.3815   -2.6863 C   0  0  0  0  0
    1.6072  -10.6526   -2.5438 N   0  0  0  0  0
    0.5901  -10.8400   -3.3888 C   0  0  0  0  0
    0.6817  -11.7806   -4.4329 C   0  0  0  0  0
   -0.4085  -11.9515   -5.2986 C   0  0  0  0  0
   -1.5531  -11.1935   -5.1089 C   0  0  0  0  0
   -1.5564  -10.2950   -4.0616 C   0  0  0  0  0
   -0.5171  -10.1140   -3.2172 N   0  0  0  0  0
    1.8610  -12.5211   -4.5809 C   0  0  0  0  0
    2.9086  -12.3177   -3.6953 C   0  0  0  0  0
    0.7875    1.5466   -1.0077 H   0  0  0  0  0
    0.1768   -0.0949   -0.6942 H   0  0  0  0  0
    1.0877    0.2685   -2.1830 H   0  0  0  0  0
    2.2076    1.7815    0.9760 H   0  0  0  0  0
    4.3025    1.1600    2.1252 H   0  0  0  0  0
    5.5798   -0.8097    1.4197 H   0  0  0  0  0
    2.5949   -1.6504   -1.5795 H   0  0  0  0  0
    4.5320   -2.4095   -2.6809 H   0  0  0  0  0
    5.7148   -4.4321   -3.3589 H   0  0  0  0  0
    6.8237   -5.1675    0.7386 H   0  0  0  0  0
    5.5872   -3.1782    1.4343 H   0  0  0  0  0
    8.0672   -6.2621   -1.3037 H   0  0  0  0  0
    7.2411   -6.2370   -2.8600 H   0  0  0  0  0
    5.3614   -7.2447   -1.0855 H   0  0  0  0  0
    5.4588   -9.4737   -0.1698 H   0  0  0  0  0
    6.4708  -10.6506   -1.0025 H   0  0  0  0  0
    5.1996  -10.2294   -3.1371 H   0  0  0  0  0
    4.1789   -9.0661   -2.3096 H   0  0  0  0  0
    3.3941  -10.8550   -0.7297 H   0  0  0  0  0
    4.4203  -12.0342   -1.5298 H   0  0  0  0  0
   -0.3676  -12.6698   -6.1128 H   0  0  0  0  0
   -2.4154  -11.2990   -5.7569 H   0  0  0  0  0
   -2.4237   -9.6718   -3.8606 H   0  0  0  0  0
    1.9655  -13.2524   -5.3776 H   0  0  0  0  0
    3.8310  -12.8806   -3.7926 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 19 48  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 20 50  1  0  0  0
 21 30  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 53  1  0  0  0
 29 30  2  0  0  0
 29 54  1  0  0  0
 30 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153439

>  <PubChem CID>
53358900

>  <Formula>
C26H25N3O

>  <Molecular Weight>
395.506000

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

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC(=C1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C2=CC=C(C=C2)CNC(=O)CCCC3=NC4=C(C=CC=N4)C=C3

>  <InChI Std. ID>
InChI=1S/C26H25N3O/c1-19-5-2-6-23(17-19)21-12-10-20(11-13-21)18-28-25(30)9-3-8-24-15-14-22-7-4-16-27-26(22)29-24/h2,4-7,10-17H,3,8-9,18H2,1H3,(H,28,30)

>  <InChI Key>
PPGSCVIDQKFZTG-UHFFFAOYSA-N

