
 CHEMBL3354965

 45 49  0  0  0  0  0  0  0  0999 V2000
    4.4110    1.6308    0.6803 C   0  0  0  0  0
    4.9609    3.0439    0.8147 C   0  0  0  0  0
    4.1464    3.9710    0.0994 O   0  0  0  0  0
    2.8188    4.0286    0.6167 C   0  0  0  0  0
    2.1266    2.6813    0.4791 C   0  0  0  0  0
    2.9432    1.5558    1.1163 C   0  0  0  0  0
    2.8130    1.5599    2.5664 N   0  0  0  0  0
    2.9828    0.4223    3.3265 C   0  0  0  0  0
    3.1615   -0.6947    2.8474 O   0  0  0  0  0
    2.9534    0.6680    4.7752 C   0  0  0  0  0
    2.7317    1.8985    5.3069 N   0  0  0  0  0
    2.7617    1.7177    6.6741 N   0  0  0  0  0
    3.0120    0.4112    6.9648 C   0  0  0  0  0
    3.0895   -0.2838    5.7908 C   0  0  0  0  0
    3.1191   -1.7583    5.9460 C   0  0  0  0  0
    2.9451   -1.9248    7.4675 C   0  0  0  0  0
    2.9573   -0.5329    8.1450 C   0  0  0  0  0
    4.0542   -1.5433    8.3909 C   0  0  0  0  0
    2.5469    2.8074    7.5509 C   0  0  0  0  0
    3.0022    2.7838    8.8731 C   0  0  0  0  0
    2.7725    3.8589    9.7269 C   0  0  0  0  0
    2.0747    4.9622    9.2567 C   0  0  0  0  0
    1.6203    5.0166    7.9441 C   0  0  0  0  0
    1.8679    3.9445    7.0814 C   0  0  0  0  0
    1.8440    5.9945   10.0783 F   0  0  0  0  0
    3.7364    1.7700    9.3493 F   0  0  0  0  0
    4.4656    1.3398   -0.3762 H   0  0  0  0  0
    5.0341    0.9296    1.2454 H   0  0  0  0  0
    5.9679    3.0903    0.3883 H   0  0  0  0  0
    5.0335    3.3519    1.8640 H   0  0  0  0  0
    2.8467    4.3664    1.6593 H   0  0  0  0  0
    2.2717    4.7851    0.0431 H   0  0  0  0  0
    1.1187    2.7276    0.9068 H   0  0  0  0  0
    2.0201    2.4576   -0.5898 H   0  0  0  0  0
    2.5357    0.5978    0.7692 H   0  0  0  0  0
    2.7778    2.4266    3.0976 H   0  0  0  0  0
    2.2859   -2.2301    5.4168 H   0  0  0  0  0
    4.0668   -2.1888    5.6104 H   0  0  0  0  0
    2.2031   -2.6487    7.7670 H   0  0  0  0  0
    2.3628   -0.2679    9.0079 H   0  0  0  0  0
    5.0384   -1.3403    7.9830 H   0  0  0  0  0
    4.0858   -2.0195    9.3656 H   0  0  0  0  0
    3.1458    3.8395   10.7449 H   0  0  0  0  0
    1.0759    5.8898    7.6006 H   0  0  0  0  0
    1.4990    3.9950    6.0584 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 19  1  0  0  0
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 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 26  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
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 23 44  1  0  0  0
 24 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3354965

>  <PubChem CID>
118720573

>  <Formula>
C19H19F2N3O2

>  <Molecular Weight>
359.377000

>  <IUPAC Name>


>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COCCC1NC(=O)C2=NN(C3=C2CC4C3C4)C5=C(C=C(C=C5)F)F

>  <Isomeric SMILES>
C1COCCC1NC(=O)C2=NN(C3=C2C[C@H]4[C@@H]3C4)C5=C(C=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C19H19F2N3O2/c20-11-1-2-16(15(21)9-11)24-18-13-7-10(13)8-14(18)17(23-24)19(25)22-12-3-5-26-6-4-12/h1-2,9-10,12-13H,3-8H2,(H,22,25)/t10-,13-/m0/s1

>  <InChI Key>
HAEXUVKAIDVGKX-GWCFXTLKSA-N

