
 CHEMBL495611

 59 62  0  0  0  0  0  0  0  0999 V2000
    1.0910    0.9046    0.8553 C   0  0  0  0  0
    1.6412    2.2982    1.2460 C   0  0  0  0  0
    0.8701    3.3678    0.4432 C   0  0  0  0  0
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    3.1218    2.3355    1.0315 N   0  0  0  0  0
    3.7786    3.5317    1.5906 C   0  0  0  0  0
    5.3022    3.4385    1.4928 C   0  0  0  0  0
    5.7646    3.2583    0.0453 C   0  0  0  0  0
    5.0506    2.0342   -0.5286 C   0  0  0  0  0
    3.5297    2.1481   -0.3756 C   0  0  0  0  0
    5.4286    4.3782   -0.7943 O   0  0  0  0  0
    5.9882    5.5919   -0.4974 C   0  0  0  0  0
    5.1984    6.7033   -0.8287 C   0  0  0  0  0
    5.6273    7.9944   -0.4681 C   0  0  0  0  0
    6.8558    8.1301    0.1706 C   0  0  0  0  0
    7.6924    7.0443    0.4472 C   0  0  0  0  0
    7.2354    5.7695    0.0987 C   0  0  0  0  0
    7.0092    9.4601    0.4634 N   0  0  0  0  0
    5.9134   10.1954    0.0606 C   0  0  0  0  0
    5.0545    9.2983   -0.5520 C   0  0  0  0  0
    5.8105   11.5955    0.4211 C   0  0  0  0  0
    6.4888   12.0328    1.3524 O   0  0  0  0  0
    4.9178   12.4256   -0.2612 N   0  0  0  0  0
    4.8004   12.3807   -1.7233 C   0  0  0  0  0
    3.5637   13.1436   -2.2101 C   0  0  0  0  0
    3.5486   14.4878   -1.7073 O   0  0  0  0  0
    3.5324   14.4831   -0.2727 C   0  0  0  0  0
    4.7677   13.7776    0.2859 C   0  0  0  0  0
    1.6474    0.1042    1.3570 H   0  0  0  0  0
    1.1305    0.7259   -0.2238 H   0  0  0  0  0
    0.0382    0.8013    1.1451 H   0  0  0  0  0
    0.9779    3.2286   -0.6374 H   0  0  0  0  0
    1.2009    4.3818    0.6901 H   0  0  0  0  0
   -0.2032    3.3185    0.6628 H   0  0  0  0  0
    1.8742    1.8015    3.3758 H   0  0  0  0  0
    0.2325    2.2783    2.9330 H   0  0  0  0  0
    1.4711    3.5091    3.0878 H   0  0  0  0  0
    3.5561    3.6356    2.6568 H   0  0  0  0  0
    3.4307    4.4448    1.0942 H   0  0  0  0  0
    5.7331    4.3396    1.9411 H   0  0  0  0  0
    5.6549    2.5912    2.0954 H   0  0  0  0  0
    6.8427    3.0680   -0.0039 H   0  0  0  0  0
    5.2891    1.9282   -1.5937 H   0  0  0  0  0
    5.4027    1.1269   -0.0213 H   0  0  0  0  0
    3.1677    2.9705   -1.0036 H   0  0  0  0  0
    3.1117    1.2221   -0.7810 H   0  0  0  0  0
    4.2353    6.5570   -1.3101 H   0  0  0  0  0
    8.6496    7.1759    0.9413 H   0  0  0  0  0
    7.8768    4.9233    0.3250 H   0  0  0  0  0
    7.7803    9.8587    0.9824 H   0  0  0  0  0
    4.0734    9.5279   -0.9468 H   0  0  0  0  0
    4.7827   11.3591   -2.1017 H   0  0  0  0  0
    5.7071   12.8562   -2.1190 H   0  0  0  0  0
    3.5649   13.1994   -3.3032 H   0  0  0  0  0
    2.6412   12.6384   -1.9002 H   0  0  0  0  0
    3.5103   15.5233    0.0671 H   0  0  0  0  0
    2.6114   13.9983    0.0721 H   0  0  0  0  0
    5.6736   14.3357    0.0180 H   0  0  0  0  0
    4.7074   13.7319    1.3794 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 45  1  0  0  0
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 12 17  1  0  0  0
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 28 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL495611

>  <PubChem CID>
44185245

>  <Formula>
C22H31N3O3

>  <Molecular Weight>
385.508000

>  <IUPAC Name>
[5-(1-tert-butylpiperidin-4-yl)oxy-1H-indol-2-yl]-morpholin-4-ylmethanone

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)N1CCC(CC1)OC2=CC3=C(C=C2)NC(=C3)C(=O)N4CCOCC4

>  <Isomeric SMILES>
CC(C)(C)N1CCC(CC1)OC2=CC3=C(C=C2)NC(=C3)C(=O)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C22H31N3O3/c1-22(2,3)25-8-6-17(7-9-25)28-18-4-5-19-16(14-18)15-20(23-19)21(26)24-10-12-27-13-11-24/h4-5,14-15,17,23H,6-13H2,1-3H3

>  <InChI Key>
AWGXEGNEJAFGFA-UHFFFAOYSA-N

