
 CHEMBL38482

 36 39  0  0  0  0  0  0  0  0999 V2000
    3.5557    1.3196    1.6847 C   0  0  0  0  0
    2.1333    1.4779    2.0986 C   0  0  0  0  0
    2.4704    0.5903    0.9173 C   0  0  0  0  0
    2.3542   -0.9163    1.0780 C   0  0  0  0  0
    1.9536   -1.6984    0.0682 N   0  0  0  0  0
    1.9981   -2.9771    0.6227 O   0  0  0  0  0
    2.4253   -2.8333    1.9146 C   0  0  0  0  0
    2.6531   -1.5783    2.2418 N   0  0  0  0  0
    2.5791   -4.0533    2.7007 C   0  0  0  0  0
    3.0541   -3.9691    4.0238 C   0  0  0  0  0
    3.2296   -5.1382    4.7962 C   0  0  0  0  0
    2.9217   -6.3681    4.2141 C   0  0  0  0  0
    2.4388   -6.4892    2.9087 C   0  0  0  0  0
    2.2735   -5.3139    2.1667 C   0  0  0  0  0
    3.1832   -7.3388    5.1520 N   0  0  0  0  0
    3.6380   -6.7678    6.3083 C   0  0  0  0  0
    3.6757   -5.3977    6.1331 C   0  0  0  0  0
    4.0961   -4.3917    7.1602 C   0  0  0  0  0
    5.5962   -4.0840    7.0972 C   0  0  0  0  0
    5.9895   -3.1237    8.1304 N   0  0  0  0  0
    4.0429    2.1537    1.1935 H   0  0  0  0  0
    4.2109    0.7448    2.3302 H   0  0  0  0  0
    1.6418    2.4217    1.8913 H   0  0  0  0  0
    1.8159    1.0100    3.0240 H   0  0  0  0  0
    2.2188    0.9630   -0.0695 H   0  0  0  0  0
    3.2915   -2.9994    4.4561 H   0  0  0  0  0
    2.1993   -7.4565    2.4778 H   0  0  0  0  0
    1.8987   -5.4050    1.1481 H   0  0  0  0  0
    3.0523   -8.3302    5.0039 H   0  0  0  0  0
    3.8921   -7.3814    7.1629 H   0  0  0  0  0
    3.8391   -4.7708    8.1581 H   0  0  0  0  0
    3.5192   -3.4684    7.0233 H   0  0  0  0  0
    5.8602   -3.6800    6.1129 H   0  0  0  0  0
    6.1753   -5.0044    7.2351 H   0  0  0  0  0
    5.4992   -2.2425    7.9812 H   0  0  0  0  0
    6.9828   -2.9164    8.0318 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 27  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 16 17  2  0  0  0
 16 30  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 31  1  0  0  0
 18 32  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 19 34  1  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL38482

>  <PubChem CID>
11777810

>  <Formula>
C15H16N4O

>  <Molecular Weight>
268.320000

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

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1C2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN

>  <Isomeric SMILES>
C1CC1C2=NOC(=N2)C3=CC4=C(C=C3)NC=C4CCN

>  <InChI Std. ID>
InChI=1S/C15H16N4O/c16-6-5-11-8-17-13-4-3-10(7-12(11)13)15-18-14(19-20-15)9-1-2-9/h3-4,7-9,17H,1-2,5-6,16H2

>  <InChI Key>
LSUAPUGYEULDQN-UHFFFAOYSA-N

