
 CHEMBL37123

 39 41  0  0  0  0  0  0  0  0999 V2000
    4.7439   -1.4306   -2.8084 C   0  0  0  0  0
    4.2107   -0.7094   -1.6026 C   0  0  0  0  0
    3.3334   -1.1778   -0.8841 O   0  0  0  0  0
    4.8124    0.5014   -1.3694 N   0  0  0  0  0
    4.4675    1.2708   -0.1896 C   0  0  0  0  0
    5.2184    2.5540   -0.1821 C   0  0  0  0  0
    4.6139    3.7487   -0.1581 N   0  0  0  0  0
    5.6822    4.6459   -0.1520 O   0  0  0  0  0
    6.8283    3.8990   -0.1785 C   0  0  0  0  0
    6.5946    2.6031   -0.2172 N   0  0  0  0  0
    8.0942    4.6238   -0.1390 C   0  0  0  0  0
    8.1380    6.0299   -0.1854 C   0  0  0  0  0
    9.3757    6.7068   -0.1349 C   0  0  0  0  0
   10.5427    5.9523   -0.0331 C   0  0  0  0  0
   10.5388    4.5548    0.0127 C   0  0  0  0  0
    9.2973    3.9092   -0.0442 C   0  0  0  0  0
   11.5945    6.8378    0.0055 N   0  0  0  0  0
   11.1334    8.1240   -0.0757 C   0  0  0  0  0
    9.7556    8.0874   -0.1688 C   0  0  0  0  0
    8.8407    9.2674   -0.2911 C   0  0  0  0  0
    8.3498    9.7682    1.0718 C   0  0  0  0  0
    7.4550   10.9175    0.9279 N   0  0  0  0  0
    4.9362   -0.7270   -3.6233 H   0  0  0  0  0
    4.0036   -2.1591   -3.1527 H   0  0  0  0  0
    5.6684   -1.9497   -2.5433 H   0  0  0  0  0
    5.6736    0.7335   -1.8493 H   0  0  0  0  0
    4.7274    0.6785    0.6946 H   0  0  0  0  0
    3.3841    1.4344   -0.1832 H   0  0  0  0  0
    7.2239    6.6138   -0.2614 H   0  0  0  0  0
   11.4590    3.9846    0.0900 H   0  0  0  0  0
    9.2769    2.8201   -0.0069 H   0  0  0  0  0
   12.5667    6.5712    0.0782 H   0  0  0  0  0
   11.8240    8.9572   -0.0661 H   0  0  0  0  0
    7.9826    8.9987   -0.9203 H   0  0  0  0  0
    9.3662   10.0759   -0.8157 H   0  0  0  0  0
    9.2020   10.0541    1.6996 H   0  0  0  0  0
    7.8148    8.9689    1.5973 H   0  0  0  0  0
    7.9563   11.6884    0.4881 H   0  0  0  0  0
    7.1835   11.2471    1.8539 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  2  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  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 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 19  1  0  0  0
 13 14  2  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 18 19  2  0  0  0
 18 33  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
 21 22  1  0  0  0
 21 36  1  0  0  0
 21 37  1  0  0  0
 22 38  1  0  0  0
 22 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL37123

>  <PubChem CID>
10063319

>  <Formula>
C15H17N5O2

>  <Molecular Weight>
299.334000

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

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(=O)NCC1=NOC(=N1)C2=CC3=C(C=C2)NC=C3CCN

>  <Isomeric SMILES>
CC(=O)NCC1=NOC(=N1)C2=CC3=C(C=C2)NC=C3CCN

>  <InChI Std. ID>
InChI=1S/C15H17N5O2/c1-9(21)17-8-14-19-15(22-20-14)10-2-3-13-12(6-10)11(4-5-16)7-18-13/h2-3,6-7,18H,4-5,8,16H2,1H3,(H,17,21)

>  <InChI Key>
IOLHLQDKROZOOC-UHFFFAOYSA-N

