
 CHEMBL2153441

 55 58  0  0  0  0  0  0  0  0999 V2000
   -4.1268   -5.6234    2.3154 C   0  0  0  0  0
   -3.5400   -4.6867    3.1525 C   0  0  0  0  0
   -4.1088   -3.4104    3.2634 C   0  0  0  0  0
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   -5.8428   -1.9182    2.6078 N   0  0  0  0  0
   -5.2800   -0.9434    3.3622 C   0  0  0  0  0
   -4.1424   -1.1605    4.1242 C   0  0  0  0  0
   -3.5520   -2.4159    4.0777 C   0  0  0  0  0
   -5.9636    0.4022    3.3534 C   0  0  0  0  0
   -5.9942    1.0773    1.9717 C   0  0  0  0  0
   -6.7984    0.3376    0.8958 C   0  0  0  0  0
   -8.2624    0.1945    1.2646 C   0  0  0  0  0
   -8.8532    1.0338    1.9357 O   0  0  0  0  0
   -8.8773   -0.9066    0.7189 N   0  0  0  0  0
  -10.2453   -1.2497    1.0381 C   0  0  0  0  0
  -11.0635   -1.4748   -0.2073 C   0  0  0  0  0
  -11.6523   -2.7154   -0.4603 C   0  0  0  0  0
  -12.4076   -2.9250   -1.6213 C   0  0  0  0  0
  -12.6132   -1.9048   -2.5680 C   0  0  0  0  0
  -12.0378   -0.6528   -2.2817 C   0  0  0  0  0
  -11.2749   -0.4398   -1.1245 C   0  0  0  0  0
  -13.3820   -2.1501   -3.8164 C   0  0  0  0  0
  -13.0723   -1.4746   -5.0153 C   0  0  0  0  0
  -13.7708   -1.7191   -6.2136 C   0  0  0  0  0
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  -15.1318   -3.3410   -5.0508 C   0  0  0  0  0
  -14.4337   -3.0859   -3.8663 C   0  0  0  0  0
  -15.4737   -2.9158   -7.3354 F   0  0  0  0  0
  -13.4285   -1.0122   -7.4891 C   0  0  0  0  0
  -13.0373   -1.8619   -8.4784 F   0  0  0  0  0
  -14.4659   -0.2892   -7.9937 F   0  0  0  0  0
  -12.4022   -0.1235   -7.3475 F   0  0  0  0  0
   -3.7126   -6.6187    2.2021 H   0  0  0  0  0
   -2.6435   -4.9477    3.7084 H   0  0  0  0  0
   -5.7625   -5.9318    0.9505 H   0  0  0  0  0
   -3.7175   -0.3751    4.7407 H   0  0  0  0  0
   -2.6588   -2.6109    4.6652 H   0  0  0  0  0
   -5.4438    1.0782    4.0453 H   0  0  0  0  0
   -6.9759    0.2821    3.7552 H   0  0  0  0  0
   -4.9672    1.2125    1.6105 H   0  0  0  0  0
   -6.4140    2.0838    2.0978 H   0  0  0  0  0
   -6.3586   -0.6360    0.6679 H   0  0  0  0  0
   -6.7573    0.9116   -0.0373 H   0  0  0  0  0
   -8.2949   -1.6303    0.3159 H   0  0  0  0  0
  -10.7212   -0.4818    1.6573 H   0  0  0  0  0
  -10.2002   -2.1659    1.6382 H   0  0  0  0  0
  -11.5249   -3.5376    0.2403 H   0  0  0  0  0
  -12.8195   -3.9191   -1.7786 H   0  0  0  0  0
  -12.1760    0.1907   -2.9549 H   0  0  0  0  0
  -10.8432    0.5436   -0.9426 H   0  0  0  0  0
  -12.2550   -0.7536   -5.0342 H   0  0  0  0  0
  -15.9343   -4.0725   -5.0720 H   0  0  0  0  0
  -14.7321   -3.6331   -2.9743 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
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 16 17  1  0  0  0
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 17 18  1  0  0  0
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 18 23  1  0  0  0
 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
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 24 25  2  0  0  0
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 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153441

>  <PubChem CID>
71451308

>  <Formula>
C26H21F4N3O

>  <Molecular Weight>
467.468000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=CC=C(C=C3)C4=CC(=C(C=C4)F)C(F)(F)F

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=CC=C(C=C3)C4=CC(=C(C=C4)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C26H21F4N3O/c27-23-13-11-20(15-22(23)26(28,29)30)18-8-6-17(7-9-18)16-32-24(34)5-1-4-21-12-10-19-3-2-14-31-25(19)33-21/h2-3,6-15H,1,4-5,16H2,(H,32,34)

>  <InChI Key>
MXPXPORFELTQAO-UHFFFAOYSA-N

