
 CHEMBL2153469

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.3584    2.6461    2.2447 C   0  0  0  0  0
    0.4440    3.1775    1.3492 C   0  0  0  0  0
   -0.8447    2.6291    1.2738 C   0  0  0  0  0
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   -0.2895    1.0400    2.9659 N   0  0  0  0  0
    0.9451    1.5850    3.0242 C   0  0  0  0  0
   -2.3996    1.0044    2.0735 N   0  0  0  0  0
   -3.3313    1.5073    1.2282 C   0  0  0  0  0
   -3.0714    2.5609    0.3644 C   0  0  0  0  0
   -1.8075    3.1309    0.3892 C   0  0  0  0  0
   -4.6876    0.8511    1.2475 C   0  0  0  0  0
   -4.7975   -0.2377    0.1765 C   0  0  0  0  0
   -6.1519   -0.9436    0.2037 C   0  0  0  0  0
   -7.2939   -0.0710   -0.2842 C   0  0  0  0  0
   -7.1504    1.0657   -0.7205 O   0  0  0  0  0
   -8.5202   -0.6912   -0.1891 N   0  0  0  0  0
   -9.7467    0.0023   -0.5096 C   0  0  0  0  0
  -10.3565    0.6143    0.7073 C   0  0  0  0  0
  -10.0308    1.8821    1.1420 C   0  0  0  0  0
  -10.5591    2.4565    2.2422 N   0  0  0  0  0
  -11.4275    1.7109    2.9522 C   0  0  0  0  0
  -11.7967    0.4561    2.6285 N   0  0  0  0  0
  -11.2553   -0.0583    1.5072 C   0  0  0  0  0
  -12.0124    2.3038    4.1693 C   0  0  0  0  0
  -12.5179    1.4938    5.2084 C   0  0  0  0  0
  -13.0736    2.0466    6.3770 C   0  0  0  0  0
  -13.1364    3.4305    6.4947 C   0  0  0  0  0
  -12.6518    4.2595    5.4901 C   0  0  0  0  0
  -12.0889    3.6990    4.3406 C   0  0  0  0  0
  -13.6689    3.9867    7.5906 F   0  0  0  0  0
  -13.5918    1.1925    7.4932 C   0  0  0  0  0
  -12.9599    1.4246    8.6770 F   0  0  0  0  0
  -14.9207    1.3725    7.7281 F   0  0  0  0  0
  -13.4417   -0.1435    7.2591 F   0  0  0  0  0
    2.3615    3.0465    2.3338 H   0  0  0  0  0
    0.7320    4.0138    0.7184 H   0  0  0  0  0
    1.6150    1.1246    3.7454 H   0  0  0  0  0
   -3.8361    2.9335   -0.3103 H   0  0  0  0  0
   -1.5802    3.9614   -0.2734 H   0  0  0  0  0
   -5.4582    1.6195    1.1209 H   0  0  0  0  0
   -4.8539    0.4116    2.2390 H   0  0  0  0  0
   -4.0125   -0.9868    0.3430 H   0  0  0  0  0
   -4.6163    0.1879   -0.8185 H   0  0  0  0  0
   -6.3774   -1.2909    1.2187 H   0  0  0  0  0
   -6.1078   -1.8220   -0.4515 H   0  0  0  0  0
   -8.5775   -1.5947    0.2631 H   0  0  0  0  0
  -10.4306   -0.7309   -0.9517 H   0  0  0  0  0
   -9.5630    0.7683   -1.2718 H   0  0  0  0  0
   -9.3089    2.4948    0.6057 H   0  0  0  0  0
  -11.5808   -1.0679    1.2704 H   0  0  0  0  0
  -12.4667    0.4080    5.1074 H   0  0  0  0  0
  -12.7119    5.3377    5.6058 H   0  0  0  0  0
  -11.7112    4.3623    3.5630 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
 13 14  1  0  0  0
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 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
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 17 18  1  0  0  0
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 18 19  2  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
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 23 50  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
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 26 27  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2153469

>  <PubChem CID>
71462033

>  <Formula>
C24H19F4N5O

>  <Molecular Weight>
469.444000

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

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

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

>  <InChI Std. ID>
InChI=1S/C24H19F4N5O/c25-20-9-7-17(11-19(20)24(26,27)28)22-31-13-15(14-32-22)12-30-21(34)5-1-4-18-8-6-16-3-2-10-29-23(16)33-18/h2-3,6-11,13-14H,1,4-5,12H2,(H,30,34)

>  <InChI Key>
UHJPHULYDYNQMT-UHFFFAOYSA-N

