
 AZD1979

 60 65  0  0  0  0  0  0  0  0999 V2000
    8.0357   -3.2360    8.0126 C   0  0  0  0  0
    7.4946   -3.1523    6.6999 O   0  0  0  0  0
    8.2555   -2.5196    5.7571 C   0  0  0  0  0
    9.5287   -1.9880    5.9519 C   0  0  0  0  0
   10.1898   -1.3446    4.8980 C   0  0  0  0  0
    9.5935   -1.2233    3.6336 C   0  0  0  0  0
    8.3215   -1.7770    3.4430 C   0  0  0  0  0
    7.6609   -2.4164    4.4978 C   0  0  0  0  0
   10.2840   -0.4894    2.5817 C   0  0  0  0  0
   11.3848    0.2345    2.6470 N   0  0  0  0  0
   11.5488    0.8144    1.4085 N   0  0  0  0  0
   10.5484    0.3855    0.6617 C   0  0  0  0  0
    9.7101   -0.4660    1.3361 O   0  0  0  0  0
   10.2697    0.7572   -0.7125 C   0  0  0  0  0
    9.6232    0.0548   -1.4895 O   0  0  0  0  0
   10.7859    1.9818   -1.1140 N   0  0  0  0  0
   10.8827    3.1997   -0.3150 C   0  0  0  0  0
   10.3591    3.9803   -1.5356 C   0  0  0  0  0
   10.4880    2.6818   -2.3541 C   0  0  0  0  0
    9.0112    4.5054   -1.4776 O   0  0  0  0  0
    8.7063    5.4457   -0.5279 C   0  0  0  0  0
    9.6192    6.3385    0.0282 C   0  0  0  0  0
    9.1934    7.2568    0.9953 C   0  0  0  0  0
    7.8531    7.2928    1.4077 C   0  0  0  0  0
    6.9432    6.4004    0.8239 C   0  0  0  0  0
    7.3679    5.4873   -0.1408 C   0  0  0  0  0
    7.3818    8.2821    2.4533 C   0  0  0  0  0
    6.8420    7.6079    3.6452 N   0  0  0  0  0
    7.9393    7.1542    4.5409 C   0  0  0  0  0
    7.5366    8.2094    5.5181 C   0  0  0  0  0
    6.3927    8.6104    4.6446 C   0  0  0  0  0
    7.3066    7.8669    6.9504 C   0  0  0  0  0
    8.2297    8.9197    7.3617 O   0  0  0  0  0
    8.5221    9.2346    5.9685 C   0  0  0  0  0
    7.3011   -3.7433    8.6454 H   0  0  0  0  0
    8.2072   -2.2401    8.4349 H   0  0  0  0  0
    8.9532   -3.8334    8.0224 H   0  0  0  0  0
   10.0352   -2.0474    6.9096 H   0  0  0  0  0
   11.1794   -0.9251    5.0769 H   0  0  0  0  0
    7.8198   -1.7040    2.4801 H   0  0  0  0  0
    6.6670   -2.8286    4.3376 H   0  0  0  0  0
   11.9094    3.4325   -0.0193 H   0  0  0  0  0
   10.2286    3.2121    0.5617 H   0  0  0  0  0
   11.0576    4.7472   -1.8952 H   0  0  0  0  0
    9.5724    2.3511   -2.8519 H   0  0  0  0  0
   11.3245    2.6588   -3.0585 H   0  0  0  0  0
   10.6595    6.3512   -0.2781 H   0  0  0  0  0
    9.9176    7.9460    1.4239 H   0  0  0  0  0
    5.8984    6.4097    1.1282 H   0  0  0  0  0
    6.6529    4.7990   -0.5840 H   0  0  0  0  0
    6.5896    8.8855    1.9899 H   0  0  0  0  0
    8.1887    8.9838    2.7060 H   0  0  0  0  0
    8.9592    7.2346    4.1481 H   0  0  0  0  0
    7.7984    6.1248    4.8903 H   0  0  0  0  0
    5.4004    8.3828    5.0510 H   0  0  0  0  0
    6.3838    9.6548    4.3119 H   0  0  0  0  0
    7.6620    6.8866    7.2814 H   0  0  0  0  0
    6.3022    8.0485    7.3430 H   0  0  0  0  0
    8.2827   10.2775    5.7422 H   0  0  0  0  0
    9.5729    9.0384    5.7363 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8 41  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 19  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 18 44  1  0  0  0
 19 45  1  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 27 52  1  0  0  0
 28 31  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
 29 54  1  0  0  0
 30 31  1  0  0  0
 30 34  1  0  0  0
 30 32  1  0  0  0
 31 55  1  0  0  0
 31 56  1  0  0  0
 32 33  1  0  0  0
 32 57  1  0  0  0
 32 58  1  0  0  0
 33 34  1  0  0  0
 34 59  1  0  0  0
 34 60  1  0  0  0
M  END

>  <Chemical Name>
AZD1979

>  <PubChem CID>
49801838

>  <Formula>
C25H26N4O5

>  <Molecular Weight>
462.506000

>  <IUPAC Name>
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]methanone

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6

>  <InChI Std. ID>
InChI=1S/C25H26N4O5/c1-31-19-8-4-18(5-9-19)22-26-27-23(34-22)24(30)29-11-21(12-29)33-20-6-2-17(3-7-20)10-28-13-25(14-28)15-32-16-25/h2-9,21H,10-16H2,1H3

>  <InChI Key>
BKKPIQPFRAPEAY-UHFFFAOYSA-N

