
 CHEMBL434974

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.0393    4.8224   -0.0748 C   0  0  0  0  0
    3.4043    4.5559   -0.1619 C   0  0  0  0  0
    3.8584    3.2348   -0.2075 C   0  0  0  0  0
    2.9521    2.1651   -0.1652 C   0  0  0  0  0
    1.5801    2.4491   -0.0767 C   0  0  0  0  0
    1.1268    3.7705   -0.0321 C   0  0  0  0  0
    3.4341    0.7879   -0.2155 C   0  0  0  0  0
    2.6339   -0.2878   -0.1257 N   0  0  0  0  0
    3.5118   -1.3624   -0.2266 O   0  0  0  0  0
    4.7646   -0.8379   -0.3701 C   0  0  0  0  0
    4.7703    0.4772   -0.3670 N   0  0  0  0  0
    5.8673   -1.7829   -0.5167 C   0  0  0  0  0
    7.1725   -1.2932   -0.7127 C   0  0  0  0  0
    8.2540   -2.1866   -0.8732 C   0  0  0  0  0
    7.9935   -3.5557   -0.8294 C   0  0  0  0  0
    6.7131   -4.0779   -0.6297 C   0  0  0  0  0
    5.6592   -3.1692   -0.4756 C   0  0  0  0  0
    9.1931   -4.2029   -1.0128 N   0  0  0  0  0
   10.2016   -3.2928   -1.1715 C   0  0  0  0  0
    9.6608   -2.0241   -1.0891 C   0  0  0  0  0
   10.4144   -0.7349   -1.2075 C   0  0  0  0  0
   10.4623   -0.2240   -2.6522 C   0  0  0  0  0
   11.2082    1.0312   -2.7546 N   0  0  0  0  0
    1.6862    5.8499   -0.0398 H   0  0  0  0  0
    4.1174    5.3757   -0.1943 H   0  0  0  0  0
    4.9279    3.0458   -0.2751 H   0  0  0  0  0
    0.8495    1.6427   -0.0429 H   0  0  0  0  0
    0.0615    3.9757    0.0356 H   0  0  0  0  0
    7.3534   -0.2211   -0.7444 H   0  0  0  0  0
    6.5333   -5.1478   -0.5964 H   0  0  0  0  0
    4.6593   -3.5722   -0.3216 H   0  0  0  0  0
    9.3071   -5.2070   -1.0282 H   0  0  0  0  0
   11.2207   -3.6214   -1.3289 H   0  0  0  0  0
   11.4360   -0.8791   -0.8321 H   0  0  0  0  0
    9.9504    0.0189   -0.5589 H   0  0  0  0  0
    9.4467   -0.0692   -3.0346 H   0  0  0  0  0
   10.9399   -0.9702   -3.2976 H   0  0  0  0  0
   10.7336    1.7542   -2.2151 H   0  0  0  0  0
   11.1955    1.3470   -3.7239 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 20  1  0  0  0
 14 15  2  0  0  0
 15 18  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 31  1  0  0  0
 18 19  1  0  0  0
 18 32  1  0  0  0
 19 20  2  0  0  0
 19 33  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 34  1  0  0  0
 21 35  1  0  0  0
 22 23  1  0  0  0
 22 36  1  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
 23 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL434974

>  <PubChem CID>
10425140

>  <Formula>
C18H16N4O

>  <Molecular Weight>
304.353000

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

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN

>  <InChI Std. ID>
InChI=1S/C18H16N4O/c19-9-8-14-11-20-16-7-6-13(10-15(14)16)18-21-17(22-23-18)12-4-2-1-3-5-12/h1-7,10-11,20H,8-9,19H2

>  <InChI Key>
FDPKHZFSVDEEFR-UHFFFAOYSA-N

