
 CHEMBL34729

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.1576    0.5488    0.6812 C   0  0  0  0  0
    3.5060    0.8147    1.0393 O   0  0  0  0  0
    4.0992    1.8672    0.3557 C   0  0  0  0  0
    5.4676    1.6805    0.1025 C   0  0  0  0  0
    6.2230    2.6607   -0.5340 C   0  0  0  0  0
    5.6428    3.8701   -0.9157 C   0  0  0  0  0
    4.2851    4.0629   -0.6315 C   0  0  0  0  0
    3.4881    3.0955   -0.0071 C   0  0  0  0  0
    2.1881    3.6764    0.1184 C   0  0  0  0  0
    2.2124    4.9404   -0.4350 C   0  0  0  0  0
    3.4980    5.1664   -0.8615 N   0  0  0  0  0
    1.1662    5.9866   -0.5607 C   0  0  0  0  0
    0.9581    6.2738   -1.9604 N   0  0  0  0  0
    1.7294    7.1896   -2.6463 C   0  0  0  0  0
    2.6507    7.7962   -2.0949 O   0  0  0  0  0
    1.3715    7.3368   -4.1442 C   0  0  0  0  0
   -0.1227    7.4022   -4.5676 C   0  0  0  0  0
    0.2984    8.4037   -5.6596 C   0  0  0  0  0
    1.5007    8.7573   -4.7658 C   0  0  0  0  0
    1.9640   -0.5095    0.8822 H   0  0  0  0  0
    1.9582    0.7252   -0.3810 H   0  0  0  0  0
    1.4811    1.1276    1.3153 H   0  0  0  0  0
    5.9426    0.7509    0.4068 H   0  0  0  0  0
    7.2787    2.4866   -0.7260 H   0  0  0  0  0
    6.2334    4.6415   -1.4000 H   0  0  0  0  0
    1.3186    3.2261    0.5751 H   0  0  0  0  0
    3.8116    6.0326   -1.2869 H   0  0  0  0  0
    1.4609    6.8975   -0.0291 H   0  0  0  0  0
    0.2124    5.6380   -0.1515 H   0  0  0  0  0
    0.3185    5.6826   -2.4725 H   0  0  0  0  0
    1.9261    6.5932   -4.7370 H   0  0  0  0  0
   -0.7906    7.8309   -3.8113 H   0  0  0  0  0
   -0.5528    6.4658   -4.9324 H   0  0  0  0  0
    0.5789    7.9315   -6.6082 H   0  0  0  0  0
   -0.4037    9.2168   -5.8588 H   0  0  0  0  0
    2.4360    8.9611   -5.2937 H   0  0  0  0  0
    1.3028    9.5769   -4.0646 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 19  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL34729

>  <PubChem CID>
10563168

>  <Formula>
C15H18N2O2

>  <Molecular Weight>
258.321000

>  <IUPAC Name>
N-[(4-methoxy-1H-indol-2-yl)methyl]cyclobutanecarboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC=CC2=C1C=C(N2)CNC(=O)C3CCC3

>  <Isomeric SMILES>
COC1=CC=CC2=C1C=C(N2)CNC(=O)C3CCC3

>  <InChI Std. ID>
InChI=1S/C15H18N2O2/c1-19-14-7-3-6-13-12(14)8-11(17-13)9-16-15(18)10-4-2-5-10/h3,6-8,10,17H,2,4-5,9H2,1H3,(H,16,18)

>  <InChI Key>
BDBFRVSIZCSSBS-UHFFFAOYSA-N

