
 CHEMBL192620

 55 58  0  0  0  0  0  0  0  0999 V2000
   11.5619    1.3664    8.2266 C   0  0  0  0  0
   10.2444    1.5337    7.8034 C   0  0  0  0  0
    9.8409    1.0668    6.5484 C   0  0  0  0  0
   10.7583    0.4328    5.7090 C   0  0  0  0  0
   12.0773    0.2650    6.1421 C   0  0  0  0  0
   12.4796    0.7292    7.3956 C   0  0  0  0  0
   10.5061   -0.0549    4.4560 O   0  0  0  0  0
    9.1666    0.0658    3.9741 C   0  0  0  0  0
    9.1223   -0.4598    2.5855 C   0  0  0  0  0
    8.4365   -0.0110    1.5530 N   0  0  0  0  0
    8.7199   -0.8524    0.4979 N   0  0  0  0  0
    9.5541   -1.7574    0.9610 C   0  0  0  0  0
    9.8448   -1.5883    2.2877 O   0  0  0  0  0
   10.2000   -2.8891    0.2586 C   0  0  0  0  0
    9.3601   -4.1630    0.3635 C   0  0  0  0  0
   10.0194   -5.3264   -0.3833 C   0  0  0  0  0
    9.3149   -6.6666   -0.1546 C   0  0  0  0  0
    7.9166   -6.7426   -0.7723 C   0  0  0  0  0
    7.2779   -8.0410   -0.4553 C   0  0  0  0  0
    6.6748   -8.4262    0.6485 N   0  0  0  0  0
    6.3111   -9.7412    0.4545 N   0  0  0  0  0
    6.7186  -10.0658   -0.7561 C   0  0  0  0  0
    7.3290   -9.0219   -1.4056 O   0  0  0  0  0
    6.5915  -11.3648   -1.4624 C   0  0  0  0  0
    7.6755  -11.5527   -2.3784 O   0  0  0  0  0
    8.8823  -11.9807   -1.8972 C   0  0  0  0  0
    9.1918  -12.2779   -0.5694 C   0  0  0  0  0
   10.4828  -12.6975   -0.2295 C   0  0  0  0  0
   11.4670  -12.8187   -1.2085 C   0  0  0  0  0
   11.1627  -12.5220   -2.5351 C   0  0  0  0  0
    9.8748  -12.1065   -2.8739 C   0  0  0  0  0
   11.8719    1.7329    9.2019 H   0  0  0  0  0
    9.5278    2.0320    8.4517 H   0  0  0  0  0
    8.8069    1.2208    6.2620 H   0  0  0  0  0
   12.7994   -0.2299    5.4964 H   0  0  0  0  0
   13.5077    0.5945    7.7209 H   0  0  0  0  0
    8.8623    1.1192    3.9572 H   0  0  0  0  0
    8.4815   -0.5171    4.5996 H   0  0  0  0  0
   11.1977   -3.0611    0.6797 H   0  0  0  0  0
   10.3397   -2.6221   -0.7955 H   0  0  0  0  0
    8.3603   -3.9743   -0.0453 H   0  0  0  0  0
    9.2261   -4.4302    1.4194 H   0  0  0  0  0
   11.0572   -5.4270   -0.0409 H   0  0  0  0  0
   10.0604   -5.1053   -1.4564 H   0  0  0  0  0
    9.2630   -6.8684    0.9233 H   0  0  0  0  0
    9.9387   -7.4618   -0.5847 H   0  0  0  0  0
    7.9813   -6.6094   -1.8587 H   0  0  0  0  0
    7.2784   -5.9411   -0.3869 H   0  0  0  0  0
    5.6734  -11.3439   -2.0591 H   0  0  0  0  0
    6.4915  -12.2091   -0.7713 H   0  0  0  0  0
    8.4644  -12.1904    0.2297 H   0  0  0  0  0
   10.7195  -12.9260    0.8082 H   0  0  0  0  0
   12.4674  -13.1414   -0.9381 H   0  0  0  0  0
   11.9248  -12.6116   -3.3021 H   0  0  0  0  0
    9.6435  -11.8731   -3.9112 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  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 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 18 48  1  0  0  0
 19 23  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 24 25  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 28 29  2  0  0  0
 28 52  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
 30 31  2  0  0  0
 30 54  1  0  0  0
 31 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL192620

>  <PubChem CID>
11247157

>  <Formula>
C23H24N4O4

>  <Molecular Weight>
420.469000

>  <IUPAC Name>
2-(phenoxymethyl)-5-[5-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]pentyl]-1,3,4-oxadiazole

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCC3=NN=C(O3)COC4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCC3=NN=C(O3)COC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H24N4O4/c1-4-10-18(11-5-1)28-16-22-26-24-20(30-22)14-8-3-9-15-21-25-27-23(31-21)17-29-19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2

>  <InChI Key>
RHZFSMFZEMBZMN-UHFFFAOYSA-N

