
 CHEMBL2153580

 48 51  0  0  0  0  0  0  0  0999 V2000
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   -6.2093   -0.1469    5.3554 C   0  0  0  0  0
   -6.9879   -0.3493    4.2000 C   0  0  0  0  0
   -8.1551   -0.9934    4.2493 N   0  0  0  0  0
   -8.5731   -1.4767    5.4411 C   0  0  0  0  0
   -6.5777    0.0825    3.0088 N   0  0  0  0  0
   -5.3644    0.6789    2.8935 C   0  0  0  0  0
   -4.5475    0.9278    3.9867 C   0  0  0  0  0
   -4.9818    0.5175    5.2392 C   0  0  0  0  0
   -4.9319    1.0677    1.5013 C   0  0  0  0  0
   -4.6830   -0.1330    0.5753 C   0  0  0  0  0
   -5.9165   -0.9761    0.2429 C   0  0  0  0  0
   -7.0058   -0.1431   -0.3948 C   0  0  0  0  0
   -6.8279    0.4557   -1.4533 O   0  0  0  0  0
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  -16.2464   -1.9187    5.2189 F   0  0  0  0  0
  -13.4563   -2.0094    6.2550 Cl  0  0  0  0  0
   -8.2711   -1.7194    7.5554 H   0  0  0  0  0
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   -9.2858    0.7577   -1.2429 H   0  0  0  0  0
   -9.0836    1.7452    0.2123 H   0  0  0  0  0
  -10.6043    0.3236    2.5742 H   0  0  0  0  0
  -11.9470   -1.2182    4.0050 H   0  0  0  0  0
  -16.7648   -1.2378    2.7787 H   0  0  0  0  0
  -15.0725   -0.5995    1.0839 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  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
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  7  8  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2153580

>  <PubChem CID>
71453138

>  <Formula>
C22H18ClFN4O2

>  <Molecular Weight>
424.860000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C22H18ClFN4O2/c23-18-11-15(7-9-19(18)24)20-12-17(30-28-20)13-26-21(29)5-1-4-16-8-6-14-3-2-10-25-22(14)27-16/h2-3,6-12H,1,4-5,13H2,(H,26,29)

>  <InChI Key>
SGJQNINMCWELAW-UHFFFAOYSA-N

