
 CHEMBL2153587

 50 54  0  0  0  0  0  0  0  0999 V2000
    0.0612    0.7705    2.1123 C   0  0  0  0  0
   -1.0914    1.5148    2.3077 C   0  0  0  0  0
   -2.3293    0.8600    2.3865 C   0  0  0  0  0
   -2.3745   -0.5417    2.2616 C   0  0  0  0  0
   -1.2583   -1.2475    2.0661 N   0  0  0  0  0
   -0.0752   -0.5979    1.9988 C   0  0  0  0  0
   -3.5346   -1.1986    2.3382 N   0  0  0  0  0
   -4.6842   -0.5145    2.5511 C   0  0  0  0  0
   -4.7186    0.8659    2.6806 C   0  0  0  0  0
   -3.5227    1.5630    2.5922 C   0  0  0  0  0
   -5.9471   -1.3292    2.6732 C   0  0  0  0  0
   -6.2706   -2.1561    1.4222 C   0  0  0  0  0
   -6.4787   -1.3363    0.1465 C   0  0  0  0  0
   -7.5867   -0.3605    0.2700 C   0  0  0  0  0
   -8.8591   -0.5585    0.5388 N   0  0  0  0  0
   -9.4490    0.6893    0.5592 N   0  0  0  0  0
   -8.4951    1.5621    0.3019 C   0  0  0  0  0
   -7.2752    0.9628    0.1148 O   0  0  0  0  0
   -8.5492    3.0147    0.2004 C   0  0  0  0  0
   -7.4024    3.7831   -0.0309 C   0  0  0  0  0
   -7.4788    5.1799   -0.1182 C   0  0  0  0  0
   -8.7022    5.8602    0.0091 C   0  0  0  0  0
   -9.8475    5.0778    0.2353 C   0  0  0  0  0
   -9.7726    3.6810    0.3354 C   0  0  0  0  0
   -8.7772    7.3368   -0.0903 C   0  0  0  0  0
   -7.9695    8.0506   -0.9987 C   0  0  0  0  0
   -8.0276    9.4457   -1.0794 C   0  0  0  0  0
   -8.9042   10.1516   -0.2644 C   0  0  0  0  0
   -9.7206    9.4782    0.6346 C   0  0  0  0  0
   -9.6528    8.0835    0.7233 C   0  0  0  0  0
   -8.9775   11.4890   -0.3269 F   0  0  0  0  0
   -7.0031   10.2703   -2.1903 Cl  0  0  0  0  0
    1.0357    1.2411    2.0520 H   0  0  0  0  0
   -1.0239    2.5951    2.4034 H   0  0  0  0  0
    0.7905   -1.2370    1.8464 H   0  0  0  0  0
   -5.6514    1.3930    2.8530 H   0  0  0  0  0
   -3.5227    2.6447    2.6947 H   0  0  0  0  0
   -6.7964   -0.6843    2.9281 H   0  0  0  0  0
   -5.8222   -2.0109    3.5240 H   0  0  0  0  0
   -7.1737   -2.7459    1.6261 H   0  0  0  0  0
   -5.4652   -2.8790    1.2405 H   0  0  0  0  0
   -6.7119   -2.0205   -0.6782 H   0  0  0  0  0
   -5.5508   -0.8237   -0.1319 H   0  0  0  0  0
   -6.4306    3.3068   -0.1454 H   0  0  0  0  0
   -6.5543    5.7310   -0.2795 H   0  0  0  0  0
  -10.8274    5.5433    0.3247 H   0  0  0  0  0
  -10.6869    3.1152    0.5137 H   0  0  0  0  0
   -7.2905    7.5184   -1.6619 H   0  0  0  0  0
  -10.4015   10.0410    1.2664 H   0  0  0  0  0
  -10.2886    7.5850    1.4532 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  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 35  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 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 18  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
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 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
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 30 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153587

>  <PubChem CID>
71454870

>  <Formula>
C25H18ClFN4O

>  <Molecular Weight>
444.894000

>  <IUPAC Name>
2-[4-(3-chloro-4-fluorophenyl)phenyl]-5-[3-(1,8-naphthyridin-2-yl)propyl]-1,3,4-oxadiazole

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC3=NN=C(O3)C4=CC=C(C=C4)C5=CC(=C(C=C5)F)Cl

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC3=NN=C(O3)C4=CC=C(C=C4)C5=CC(=C(C=C5)F)Cl

>  <InChI Std. ID>
InChI=1S/C25H18ClFN4O/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-31-30-23(32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2

>  <InChI Key>
FNQGVMZOLBAJFA-UHFFFAOYSA-N

