
 CHEMBL2153457

 55 58  0  0  0  0  0  0  0  0999 V2000
    9.1081   -7.0965  -11.7873 C   0  0  0  0  0
    8.0121   -7.2639  -10.7728 C   0  0  0  0  0
    6.7594   -7.7890  -11.1100 C   0  0  0  0  0
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    8.2581   -6.9213   -9.4294 C   0  0  0  0  0
    7.5932   -6.7628   -7.0047 C   0  0  0  0  0
    6.6232   -6.2009   -6.1566 C   0  0  0  0  0
    6.9135   -5.8824   -4.8240 C   0  0  0  0  0
    8.1940   -6.0950   -4.3041 C   0  0  0  0  0
    9.1659   -6.6683   -5.1288 C   0  0  0  0  0
    8.8661   -6.9992   -6.4547 C   0  0  0  0  0
    8.5094   -5.7425   -2.8756 C   0  0  0  0  0
    8.3417   -6.8840   -2.0086 N   0  0  0  0  0
    7.2706   -7.0006   -1.1529 C   0  0  0  0  0
    6.3871   -6.1576   -1.0547 O   0  0  0  0  0
    7.2893   -8.2893   -0.3517 C   0  0  0  0  0
    6.4436   -8.1688    0.9177 C   0  0  0  0  0
    6.3494   -9.4726    1.7111 C   0  0  0  0  0
    7.6772   -9.9583    2.2326 C   0  0  0  0  0
    8.3219  -10.8794    1.4758 N   0  0  0  0  0
    9.4971  -11.3639    1.8791 C   0  0  0  0  0
   10.0894  -10.9218    3.0777 C   0  0  0  0  0
   11.3219  -11.4621    3.4706 C   0  0  0  0  0
   11.9307  -12.4196    2.6742 C   0  0  0  0  0
   11.2814  -12.7906    1.5143 C   0  0  0  0  0
   10.0970  -12.2791    1.1145 N   0  0  0  0  0
    9.4272   -9.9539    3.8452 C   0  0  0  0  0
    8.2035   -9.4626    3.4160 C   0  0  0  0  0
    6.3763   -8.2544  -12.7283 Cl  0  0  0  0  0
    8.7543   -6.5323  -12.6557 H   0  0  0  0  0
    9.4733   -8.0769  -12.1102 H   0  0  0  0  0
    9.9580   -6.5445  -11.3714 H   0  0  0  0  0
    4.8074   -8.3656  -10.3923 H   0  0  0  0  0
    5.2706   -7.7957   -8.0590 H   0  0  0  0  0
    9.2287   -6.4995   -9.1711 H   0  0  0  0  0
    5.6214   -5.9907   -6.5254 H   0  0  0  0  0
    6.1317   -5.4613   -4.1931 H   0  0  0  0  0
   10.1659   -6.8631   -4.7483 H   0  0  0  0  0
    9.6477   -7.4600   -7.0552 H   0  0  0  0  0
    7.8905   -4.9025   -2.5405 H   0  0  0  0  0
    9.5536   -5.4201   -2.7926 H   0  0  0  0  0
    8.9607   -7.6738   -2.1334 H   0  0  0  0  0
    8.3277   -8.5238   -0.0922 H   0  0  0  0  0
    6.9053   -9.0905   -0.9933 H   0  0  0  0  0
    5.4253   -7.8603    0.6493 H   0  0  0  0  0
    6.8513   -7.3700    1.5506 H   0  0  0  0  0
    5.9025  -10.2539    1.0836 H   0  0  0  0  0
    5.6638   -9.3344    2.5565 H   0  0  0  0  0
   11.8031  -11.1440    4.3917 H   0  0  0  0  0
   12.8804  -12.8636    2.9485 H   0  0  0  0  0
   11.7061  -13.5368    0.8481 H   0  0  0  0  0
    9.8589   -9.5887    4.7734 H   0  0  0  0  0
    7.6721   -8.7156    3.9975 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  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 31  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
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 29 30  2  0  0  0
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 30 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153457

>  <PubChem CID>
71456626

>  <Formula>
C26H24ClN3O

>  <Molecular Weight>
429.948000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C26H24ClN3O/c1-18-16-22(12-14-24(18)27)20-9-7-19(8-10-20)17-29-25(31)6-2-5-23-13-11-21-4-3-15-28-26(21)30-23/h3-4,7-16H,2,5-6,17H2,1H3,(H,29,31)

>  <InChI Key>
OPMDDTWHVKMKPQ-UHFFFAOYSA-N

