
 CHEMBL423355

 45 48  0  0  0  0  0  0  0  0999 V2000
   -0.8498   -0.3296    2.6981 C   0  0  0  0  0
   -0.2831    0.9782    2.2270 C   0  0  0  0  0
    0.6344   -0.1984    2.4575 C   0  0  0  0  0
    1.2674   -0.9157    1.3004 C   0  0  0  0  0
    2.6998   -0.6122    1.1989 N   0  0  0  0  0
    3.3636   -1.4618    0.1991 C   0  0  0  0  0
    2.9841   -1.1279   -1.2470 C   0  0  0  0  0
    3.1298    0.3602   -1.6048 C   0  0  0  0  0
    2.6044    1.2616   -0.4763 C   0  0  0  0  0
    3.0042    0.7980    0.9253 C   0  0  0  0  0
    4.5589    0.7253   -2.0450 C   0  0  0  0  0
    5.5016    0.5509   -0.9930 O   0  0  0  0  0
    6.8126    0.8234   -1.2906 C   0  0  0  0  0
    7.2921    1.2469   -2.5371 C   0  0  0  0  0
    8.6702    1.4823   -2.7107 C   0  0  0  0  0
    9.5295    1.2916   -1.6304 C   0  0  0  0  0
    9.0763    0.8745   -0.3736 C   0  0  0  0  0
    7.7025    0.6446   -0.2297 C   0  0  0  0  0
   10.8003    1.5857   -2.0678 N   0  0  0  0  0
   10.7741    1.9545   -3.3871 C   0  0  0  0  0
    9.4670    1.9010   -3.8122 C   0  0  0  0  0
   -1.1903   -0.3938    3.7256 H   0  0  0  0  0
   -1.4393   -0.9119    1.9994 H   0  0  0  0  0
   -0.2360    1.8001    2.9321 H   0  0  0  0  0
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    2.5013    0.5452   -2.4868 H   0  0  0  0  0
    2.9410    2.2946   -0.6279 H   0  0  0  0  0
    1.5093    1.2932   -0.5403 H   0  0  0  0  0
    4.0795    0.9548    1.0718 H   0  0  0  0  0
    2.5339    1.4488    1.6715 H   0  0  0  0  0
    4.5645    1.7731   -2.3732 H   0  0  0  0  0
    4.8292    0.0854   -2.8954 H   0  0  0  0  0
    6.6373    1.4005   -3.3861 H   0  0  0  0  0
    9.7548    0.7307    0.4595 H   0  0  0  0  0
    7.3192    0.3169    0.7352 H   0  0  0  0  0
   11.6301    1.5334   -1.4934 H   0  0  0  0  0
   11.6842    2.2220   -3.9074 H   0  0  0  0  0
    9.1173    2.1355   -4.8089 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
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  5  6  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
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 21 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL423355

>  <PubChem CID>
10062442

>  <Formula>
C18H24N2O

>  <Molecular Weight>
284.403000

>  <IUPAC Name>
5-[[1-(cyclopropylmethyl)piperidin-4-yl]methoxy]-1H-indole

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1CN2CCC(CC2)COC3=CC4=C(C=C3)NC=C4

>  <Isomeric SMILES>
C1CC1CN2CCC(CC2)COC3=CC4=C(C=C3)NC=C4

>  <InChI Std. ID>
InChI=1S/C18H24N2O/c1-2-14(1)12-20-9-6-15(7-10-20)13-21-17-3-4-18-16(11-17)5-8-19-18/h3-5,8,11,14-15,19H,1-2,6-7,9-10,12-13H2

>  <InChI Key>
GYBWSNJGOJUGRI-UHFFFAOYSA-N

