
 CHEMBL39243

 40 42  0  0  0  0  0  0  0  0999 V2000
    3.8881   -0.8228    2.8832 C   0  0  0  0  0
    3.9419   -0.4082    1.4773 N   0  0  0  0  0
    2.6615   -0.6975    0.8293 C   0  0  0  0  0
    4.2966    1.0251    1.3965 C   0  0  0  0  0
    4.5173    1.5413   -0.0366 C   0  0  0  0  0
    4.9858    2.9658   -0.0544 C   0  0  0  0  0
    4.1838    4.0904   -0.0894 C   0  0  0  0  0
    4.9917    5.1950   -0.0880 N   0  0  0  0  0
    6.3135    4.8180   -0.0529 C   0  0  0  0  0
    6.3421    3.4245   -0.0353 C   0  0  0  0  0
    7.5954    2.7780    0.0009 C   0  0  0  0  0
    8.7798    3.5384    0.0123 C   0  0  0  0  0
    8.7034    4.9369    0.0057 C   0  0  0  0  0
    7.4728    5.6006   -0.0314 C   0  0  0  0  0
   10.1228    2.8472    0.0697 C   0  0  0  0  0
   10.5650    2.5668    1.4568 C   0  0  0  0  0
   11.2976    3.2934    2.2725 N   0  0  0  0  0
   11.3670    2.4977    3.3740 C   0  0  0  0  0
   10.7217    1.3342    3.2802 N   0  0  0  0  0
   10.1846    1.3700    1.9926 O   0  0  0  0  0
   12.0389    2.9564    4.4324 N   0  0  0  0  0
    4.8552   -0.6619    3.3716 H   0  0  0  0  0
    3.6746   -1.8946    2.9609 H   0  0  0  0  0
    3.1215   -0.2770    3.4451 H   0  0  0  0  0
    2.3916   -1.7513    0.9618 H   0  0  0  0  0
    2.7228   -0.5394   -0.2516 H   0  0  0  0  0
    1.8473   -0.0828    1.2287 H   0  0  0  0  0
    5.2306    1.1810    1.9544 H   0  0  0  0  0
    3.5320    1.6369    1.8949 H   0  0  0  0  0
    3.5870    1.4795   -0.6135 H   0  0  0  0  0
    5.2493    0.9077   -0.5522 H   0  0  0  0  0
    3.1073    4.1962   -0.1135 H   0  0  0  0  0
    4.6702    6.1526   -0.1076 H   0  0  0  0  0
    7.6357    1.6918    0.0236 H   0  0  0  0  0
    9.6149    5.5322    0.0350 H   0  0  0  0  0
    7.4267    6.6846   -0.0377 H   0  0  0  0  0
   10.8749    3.4677   -0.4326 H   0  0  0  0  0
   10.0791    1.9151   -0.5078 H   0  0  0  0  0
   11.8347    2.5342    5.3284 H   0  0  0  0  0
   12.2097    3.9522    4.4636 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  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 34  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 21  1  0  0  0
 19 20  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL39243

>  <PubChem CID>
10401691

>  <Formula>
C15H19N5O

>  <Molecular Weight>
285.351000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3=NC(=NO3)N

>  <Isomeric SMILES>
CN(C)CCC1=CNC2=C1C=C(C=C2)CC3=NC(=NO3)N

>  <InChI Std. ID>
InChI=1S/C15H19N5O/c1-20(2)6-5-11-9-17-13-4-3-10(7-12(11)13)8-14-18-15(16)19-21-14/h3-4,7,9,17H,5-6,8H2,1-2H3,(H2,16,19)

>  <InChI Key>
GJLPUJJLZFRDTA-UHFFFAOYSA-N

