
 CHEMBL2151617

 44 47  0  0  0  0  0  0  0  0999 V2000
    0.8127    1.6244    3.4825 C   0  0  0  0  0
    1.4290    0.7460    4.5701 C   0  0  0  0  0
    1.9707   -0.5469    3.9895 C   0  0  0  0  0
    2.9728   -0.3115    2.8760 C   0  0  0  0  0
    2.4117    0.6093    1.7904 C   0  0  0  0  0
    1.7867    1.9088    2.3304 C   0  0  0  0  0
    2.8474    2.9343    2.7417 C   0  0  0  0  0
    4.0248    2.6270    2.9163 O   0  0  0  0  0
    2.4076    4.2126    2.9401 N   0  0  0  0  0
    1.1858    4.9189    2.6349 C   0  0  0  0  0
    2.0156    6.2204    2.5889 C   0  0  0  0  0
    3.1872    5.4078    3.1807 C   0  0  0  0  0
    2.2919    6.7084    1.1770 C   0  0  0  0  0
    2.2038    7.9695    0.8182 N   0  0  0  0  0
    2.5559    7.9347   -0.5153 C   0  0  0  0  0
    2.8249    6.6998   -0.9700 N   0  0  0  0  0
    2.6588    5.8896    0.1468 O   0  0  0  0  0
    2.6380    9.1418   -1.3308 C   0  0  0  0  0
    2.3452   10.3904   -0.7684 C   0  0  0  0  0
    2.4410   11.5405   -1.5456 C   0  0  0  0  0
    2.8225   11.4777   -2.8802 C   0  0  0  0  0
    3.1134   10.2421   -3.4528 C   0  0  0  0  0
    3.0205    9.0790   -2.6813 C   0  0  0  0  0
    2.1626   12.7301   -0.9961 F   0  0  0  0  0
    0.9335   -1.2821    3.5075 F   0  0  0  0  0
    2.5400   -1.2843    4.9729 F   0  0  0  0  0
   -0.0725    1.1174    3.0766 H   0  0  0  0  0
    0.4531    2.5507    3.9422 H   0  0  0  0  0
    0.6665    0.5166    5.3227 H   0  0  0  0  0
    2.2290    1.2859    5.0895 H   0  0  0  0  0
    3.8955    0.1036    3.2956 H   0  0  0  0  0
    3.2476   -1.2722    2.4245 H   0  0  0  0  0
    3.2030    0.8372    1.0659 H   0  0  0  0  0
    1.6373    0.0585    1.2403 H   0  0  0  0  0
    1.2278    2.3591    1.4994 H   0  0  0  0  0
    0.4589    4.8777    3.4524 H   0  0  0  0  0
    0.7023    4.6184    1.7018 H   0  0  0  0  0
    1.6597    7.0190    3.2489 H   0  0  0  0  0
    4.1346    5.4454    2.6355 H   0  0  0  0  0
    3.3712    5.5763    4.2467 H   0  0  0  0  0
    2.0468   10.4841    0.2717 H   0  0  0  0  0
    2.8919   12.3918   -3.4630 H   0  0  0  0  0
    3.4146   10.1805   -4.4956 H   0  0  0  0  0
    3.2560    8.1225   -3.1452 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
  3 26  1  0  0  0
  3 25  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  9  1  0  0  0
  7  8  2  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 38  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2151617

>  <PubChem CID>
71456519

>  <Formula>
C18H18F3N3O2

>  <Molecular Weight>
365.356000

>  <IUPAC Name>
(4,4-difluorocyclohexyl)-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(CCC1C(=O)N2CC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C(=O)N2CC(C2)C3=NC(=NO3)C4=CC(=CC=C4)F)(F)F

>  <InChI Std. ID>
InChI=1S/C18H18F3N3O2/c19-14-3-1-2-12(8-14)15-22-16(26-23-15)13-9-24(10-13)17(25)11-4-6-18(20,21)7-5-11/h1-3,8,11,13H,4-7,9-10H2

>  <InChI Key>
ABJHPDKSDCWPPH-UHFFFAOYSA-N

