
 CHEMBL2153581

 51 54  0  0  0  0  0  0  0  0999 V2000
   -6.8223   -1.8695    5.9232 C   0  0  0  0  0
   -6.1465   -0.6696    5.7551 C   0  0  0  0  0
   -6.0889   -0.0879    4.4817 C   0  0  0  0  0
   -6.7286   -0.7330    3.4071 C   0  0  0  0  0
   -7.3755   -1.8855    3.5732 N   0  0  0  0  0
   -7.4144   -2.4317    4.8091 C   0  0  0  0  0
   -6.6992   -0.2193    2.1789 N   0  0  0  0  0
   -6.0118    0.9250    1.9435 C   0  0  0  0  0
   -5.3623    1.6238    2.9513 C   0  0  0  0  0
   -5.4075    1.1121    4.2405 C   0  0  0  0  0
   -5.9942    1.4221    0.5208 C   0  0  0  0  0
   -5.2142    0.5185   -0.4428 C   0  0  0  0  0
   -5.7925   -0.8830   -0.6507 C   0  0  0  0  0
   -7.2331   -0.8492   -1.1116 C   0  0  0  0  0
   -7.5588   -0.3655   -2.1921 O   0  0  0  0  0
   -8.1236   -1.3981   -0.2244 N   0  0  0  0  0
   -9.5363   -1.5048   -0.5077 C   0  0  0  0  0
  -10.3056   -0.7296    0.4863 C   0  0  0  0  0
  -10.2757    0.5689    0.9304 C   0  0  0  0  0
  -11.3244    0.6551    1.8837 C   0  0  0  0  0
  -11.9519   -0.5277    1.9879 N   0  0  0  0  0
  -11.3097   -1.3882    1.1218 O   0  0  0  0  0
  -11.7439    1.8150    2.6703 C   0  0  0  0  0
  -10.8366    2.8413    2.9810 C   0  0  0  0  0
  -11.2402    3.9575    3.7365 C   0  0  0  0  0
  -12.5609    4.0330    4.1701 C   0  0  0  0  0
  -13.4744    3.0276    3.8752 C   0  0  0  0  0
  -13.0663    1.9200    3.1299 C   0  0  0  0  0
  -12.9699    5.0866    4.8885 F   0  0  0  0  0
  -10.2918    5.0611    4.0919 C   0  0  0  0  0
  -10.6742    6.2716    3.6012 F   0  0  0  0  0
  -10.1402    5.2217    5.4353 F   0  0  0  0  0
   -9.0315    4.8552    3.6075 F   0  0  0  0  0
   -6.8843   -2.3521    6.8914 H   0  0  0  0  0
   -5.6659   -0.1986    6.6082 H   0  0  0  0  0
   -7.9548   -3.3734    4.8781 H   0  0  0  0  0
   -4.8288    2.5458    2.7455 H   0  0  0  0  0
   -4.9057    1.6408    5.0468 H   0  0  0  0  0
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   -7.0288    1.5508    0.1812 H   0  0  0  0  0
   -4.1789    0.4185   -0.0962 H   0  0  0  0  0
   -5.1709    1.0233   -1.4156 H   0  0  0  0  0
   -5.6803   -1.4960    0.2489 H   0  0  0  0  0
   -5.2188   -1.4009   -1.4299 H   0  0  0  0  0
   -7.8104   -1.5670    0.7322 H   0  0  0  0  0
   -9.7916   -2.5690   -0.4549 H   0  0  0  0  0
   -9.7622   -1.1526   -1.5187 H   0  0  0  0  0
   -9.5972    1.3405    0.5994 H   0  0  0  0  0
   -9.8002    2.7710    2.6515 H   0  0  0  0  0
  -14.4989    3.1087    4.2268 H   0  0  0  0  0
  -13.7907    1.1383    2.9052 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  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 36  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 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
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 13 44  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
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 17 47  1  0  0  0
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 18 22  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 23  1  0  0  0
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 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2153581

>  <PubChem CID>
53358901

>  <Formula>
C23H18F4N4O2

>  <Molecular Weight>
458.417000

>  <IUPAC Name>
N-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=CC(=NO3)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(=NO3)C4=CC(=C(C=C4)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H18F4N4O2/c24-19-9-7-15(11-18(19)23(25,26)27)20-12-17(33-31-20)13-29-21(32)5-1-4-16-8-6-14-3-2-10-28-22(14)30-16/h2-3,6-12H,1,4-5,13H2,(H,29,32)

>  <InChI Key>
SWKGPCNQBPGWNX-UHFFFAOYSA-N

