
 CHEMBL211222

 50 52  0  0  0  0  0  0  0  0999 V2000
    2.2766   11.7906    4.4221 C   0  0  0  0  0
    1.7935   10.4110    3.9726 C   0  0  0  0  0
    0.5606   10.5636    3.0783 C   0  0  0  0  0
    2.8851    9.6193    3.2280 C   0  0  0  0  0
    4.0846    9.2623    4.1109 C   0  0  0  0  0
    5.0645    8.4015    3.4015 C   0  0  0  0  0
    5.0278    7.0651    3.4647 N   0  0  0  0  0
    6.1249    6.6827    2.6891 O   0  0  0  0  0
    6.7129    7.8353    2.2367 C   0  0  0  0  0
    6.0863    8.9189    2.6471 N   0  0  0  0  0
    7.8897    7.8708    1.4333 C   0  0  0  0  0
    8.6855    6.8526    0.9521 C   0  0  0  0  0
    9.7685    7.4390    0.2275 C   0  0  0  0  0
   10.8872    6.9166   -0.4704 C   0  0  0  0  0
   11.7700    7.8397   -1.0718 C   0  0  0  0  0
   11.5632    9.2149   -0.9885 C   0  0  0  0  0
   10.4622    9.7334   -0.3085 C   0  0  0  0  0
    9.5852    8.8224    0.2866 C   0  0  0  0  0
    8.4364    9.0520    1.0090 N   0  0  0  0  0
   11.1794    5.4340   -0.5927 C   0  0  0  0  0
   12.3650    5.0014    0.2894 C   0  0  0  0  0
   12.7042    3.5698    0.1498 N   0  0  0  0  0
   14.0051    3.3008    0.7696 C   0  0  0  0  0
   11.6858    2.7096    0.7572 C   0  0  0  0  0
    3.0965   11.7134    5.1418 H   0  0  0  0  0
    1.4678   12.3427    4.9127 H   0  0  0  0  0
    2.6234   12.3864    3.5713 H   0  0  0  0  0
    1.4935    9.8447    4.8634 H   0  0  0  0  0
    0.7984   11.1188    2.1645 H   0  0  0  0  0
   -0.2374   11.0998    3.6030 H   0  0  0  0  0
    0.1669    9.5839    2.7875 H   0  0  0  0  0
    3.2278   10.1885    2.3536 H   0  0  0  0  0
    2.4453    8.6919    2.8365 H   0  0  0  0  0
    3.7389    8.7531    5.0188 H   0  0  0  0  0
    4.5999   10.1729    4.4367 H   0  0  0  0  0
    8.5182    5.7955    1.1108 H   0  0  0  0  0
   12.6392    7.4748   -1.6172 H   0  0  0  0  0
   12.2690    9.8936   -1.4625 H   0  0  0  0  0
   10.2999   10.8050   -0.2473 H   0  0  0  0  0
    8.0498    9.9638    1.2165 H   0  0  0  0  0
   11.3845    5.2002   -1.6453 H   0  0  0  0  0
   10.2782    4.8732   -0.3248 H   0  0  0  0  0
   12.1717    5.2556    1.3405 H   0  0  0  0  0
   13.2385    5.5939   -0.0149 H   0  0  0  0  0
   14.7930    3.8850    0.2818 H   0  0  0  0  0
   14.2806    2.2474    0.6474 H   0  0  0  0  0
   14.0107    3.5372    1.8393 H   0  0  0  0  0
   10.7288    2.7960    0.2341 H   0  0  0  0  0
   11.5271    2.9422    1.8163 H   0  0  0  0  0
   11.9765    1.6556    0.6790 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 24  1  0  0  0
 22 23  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL211222

>  <PubChem CID>
136043768

>  <Formula>
C19H26N4O

>  <Molecular Weight>
326.444000

>  <IUPAC Name>
N,N-dimethyl-2-[2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]-1H-indol-4-yl]ethanamine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CCC1=NOC(=N1)C2=CC3=C(C=CC=C3N2)CCN(C)C

>  <Isomeric SMILES>
CC(C)CCC1=NOC(=N1)C2=CC3=C(C=CC=C3N2)CCN(C)C

>  <InChI Std. ID>
InChI=1S/C19H26N4O/c1-13(2)8-9-18-21-19(24-22-18)17-12-15-14(10-11-23(3)4)6-5-7-16(15)20-17/h5-7,12-13,20H,8-11H2,1-4H3

>  <InChI Key>
BMANQFPWOFGESP-UHFFFAOYSA-N

