
 CHEMBL290587

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.7876   -0.8110    2.8738 C   0  0  0  0  0
    3.8614   -0.3935    1.4703 N   0  0  0  0  0
    2.5691   -0.6206    0.8215 C   0  0  0  0  0
    4.2817    1.0217    1.3952 C   0  0  0  0  0
    4.5265    1.5329   -0.0360 C   0  0  0  0  0
    5.0605    2.9343   -0.0487 C   0  0  0  0  0
    4.3109    4.0947   -0.0772 C   0  0  0  0  0
    5.1688    5.1612   -0.0807 N   0  0  0  0  0
    6.4720    4.7235   -0.0537 C   0  0  0  0  0
    6.4367    3.3302   -0.0358 C   0  0  0  0  0
    7.6597    2.6272   -0.0098 C   0  0  0  0  0
    8.8760    3.3328   -0.0107 C   0  0  0  0  0
    8.8657    4.7318   -0.0228 C   0  0  0  0  0
    7.6665    5.4514   -0.0464 C   0  0  0  0  0
   10.1837    2.5797    0.0312 C   0  0  0  0  0
   10.5952    2.2455    1.4638 C   0  0  0  0  0
   11.8846    1.5203    1.4835 C   0  0  0  0  0
   12.1227    0.2303    1.4237 N   0  0  0  0  0
   13.4813    0.1887    1.4809 C   0  0  0  0  0
   14.0841    1.3777    1.5450 N   0  0  0  0  0
   13.0175    2.2774    1.5553 O   0  0  0  0  0
   14.0707   -1.0063    1.4367 N   0  0  0  0  0
    4.7620   -0.6980    3.3636 H   0  0  0  0  0
    3.5244   -1.8728    2.9477 H   0  0  0  0  0
    3.0474   -0.2325    3.4390 H   0  0  0  0  0
    2.2508   -1.6618    0.9489 H   0  0  0  0  0
    2.6373   -0.4605   -0.2589 H   0  0  0  0  0
    1.7839    0.0288    1.2239 H   0  0  0  0  0
    5.2215    1.1327    1.9531 H   0  0  0  0  0
    3.5462    1.6666    1.8953 H   0  0  0  0  0
    3.5945    1.5165   -0.6136 H   0  0  0  0  0
    5.2285    0.8678   -0.5544 H   0  0  0  0  0
    3.2404    4.2500   -0.0976 H   0  0  0  0  0
    4.8916    6.1322   -0.1025 H   0  0  0  0  0
    7.6531    1.5404    0.0060 H   0  0  0  0  0
    9.8035    5.2846   -0.0179 H   0  0  0  0  0
    7.6704    6.5364   -0.0607 H   0  0  0  0  0
   10.9637    3.1747   -0.4627 H   0  0  0  0  0
   10.0928    1.6629   -0.5669 H   0  0  0  0  0
    9.8287    1.6259    1.9450 H   0  0  0  0  0
   10.6770    3.1613    2.0620 H   0  0  0  0  0
   15.0476   -1.0426    1.1771 H   0  0  0  0  0
   13.5121   -1.7841    1.1118 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 16 41  1  0  0  0
 17 21  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL290587

>  <PubChem CID>
10380005

>  <Formula>
C16H21N5O

>  <Molecular Weight>
299.378000

>  <IUPAC Name>
5-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-1,2,4-oxadiazol-3-amine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CCC3=NC(=NO3)N

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CCC3=NC(=NO3)N

>  <InChI Std. ID>
InChI=1S/C16H21N5O/c1-21(2)8-7-12-10-18-14-5-3-11(9-13(12)14)4-6-15-19-16(17)20-22-15/h3,5,9-10,18H,4,6-8H2,1-2H3,(H2,17,20)

>  <InChI Key>
CVSXIEGQYNXATH-UHFFFAOYSA-N

