
 CHEMBL290171

 42 45  0  0  0  0  0  0  0  0999 V2000
    8.8189   -0.0243    6.1787 C   0  0  0  0  0
    9.4081   -0.2160    4.9304 C   0  0  0  0  0
    8.6078   -0.3771    3.7965 C   0  0  0  0  0
    7.2094   -0.3413    3.8988 C   0  0  0  0  0
    6.6293   -0.1423    5.1608 C   0  0  0  0  0
    7.4306    0.0119    6.2949 C   0  0  0  0  0
    6.3803   -0.5307    2.7139 C   0  0  0  0  0
    5.0628   -0.2678    2.6695 N   0  0  0  0  0
    4.6914   -0.6455    1.3838 O   0  0  0  0  0
    5.8207   -1.1041    0.7727 C   0  0  0  0  0
    6.8903   -1.0242    1.5310 N   0  0  0  0  0
    5.6678   -1.6254   -0.6074 C   0  0  0  0  0
    5.1942   -3.0618   -0.6293 C   0  0  0  0  0
    6.1311   -4.1124   -0.6375 C   0  0  0  0  0
    5.6891   -5.4525   -0.6196 C   0  0  0  0  0
    4.3180   -5.6987   -0.5818 C   0  0  0  0  0
    3.3634   -4.6765   -0.5646 C   0  0  0  0  0
    3.8254   -3.3566   -0.5881 C   0  0  0  0  0
    4.1517   -7.0638   -0.5610 N   0  0  0  0  0
    5.3693   -7.6889   -0.5899 C   0  0  0  0  0
    6.3543   -6.7212   -0.6260 C   0  0  0  0  0
    7.8320   -6.9604   -0.6645 C   0  0  0  0  0
    8.4447   -7.0327    0.7394 C   0  0  0  0  0
    9.8866   -7.2814    0.6834 N   0  0  0  0  0
    9.4418    0.0947    7.0620 H   0  0  0  0  0
   10.4908   -0.2448    4.8380 H   0  0  0  0  0
    9.0830   -0.5321    2.8299 H   0  0  0  0  0
    5.5476   -0.1180    5.2730 H   0  0  0  0  0
    6.9689    0.1562    7.2690 H   0  0  0  0  0
    6.6251   -1.5465   -1.1373 H   0  0  0  0  0
    4.9653   -0.9985   -1.1704 H   0  0  0  0  0
    7.1973   -3.9001   -0.6481 H   0  0  0  0  0
    2.3006   -4.8919   -0.5270 H   0  0  0  0  0
    3.0934   -2.5506   -0.5623 H   0  0  0  0  0
    3.2573   -7.5306   -0.5289 H   0  0  0  0  0
    5.4325   -8.7696   -0.5822 H   0  0  0  0  0
    8.3175   -6.1634   -1.2426 H   0  0  0  0  0
    8.0294   -7.8965   -1.2041 H   0  0  0  0  0
    7.9675   -7.8306    1.3194 H   0  0  0  0  0
    8.2686   -6.0936    1.2752 H   0  0  0  0  0
   10.0585   -8.1875    0.2497 H   0  0  0  0  0
   10.2470   -7.3490    1.6345 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6 29  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 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 21  1  0  0  0
 15 16  2  0  0  0
 16 19  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 37  1  0  0  0
 22 38  1  0  0  0
 23 24  1  0  0  0
 23 39  1  0  0  0
 23 40  1  0  0  0
 24 41  1  0  0  0
 24 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL290171

>  <PubChem CID>
9996008

>  <Formula>
C19H18N4O

>  <Molecular Weight>
318.380000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NOC(=N2)CC3=CC4=C(C=C3)NC=C4CCN

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NOC(=N2)CC3=CC4=C(C=C3)NC=C4CCN

>  <InChI Std. ID>
InChI=1S/C19H18N4O/c20-9-8-15-12-21-17-7-6-13(10-16(15)17)11-18-22-19(23-24-18)14-4-2-1-3-5-14/h1-7,10,12,21H,8-9,11,20H2

>  <InChI Key>
DUCJXOYLGYOOQB-UHFFFAOYSA-N

