
 CHEMBL365863

 67 71  0  0  0  0  0  0  0  0999 V2000
    7.1019    0.4332    3.9636 C   0  0  0  0  0
    6.2801    0.6202    2.7033 C   0  0  0  0  0
    6.4655    1.9424    2.1425 N   0  0  0  0  0
    5.9458    2.2568    0.9039 C   0  0  0  0  0
    5.3615    1.4494    0.1885 O   0  0  0  0  0
    6.0902    3.6760    0.4740 C   0  0  0  0  0
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    5.8374   10.2199   -0.6459 C   0  0  0  0  0
    4.4257   10.8741   -0.7024 C   0  0  0  0  0
    3.4708   10.0670   -1.5900 C   0  0  0  0  0
    2.8595    9.0300   -0.6429 C   0  0  0  0  0
    3.4905    9.3407    0.7249 C   0  0  0  0  0
    4.8104    8.5496    0.9345 C   0  0  0  0  0
    3.8295   10.7837    0.6536 N   0  0  0  0  0
    2.6367   11.6214    0.8533 C   0  0  0  0  0
    2.9764   13.0723    0.7790 C   0  0  0  0  0
    3.8447   13.7813    1.5853 C   0  0  0  0  0
    3.8803   15.0907    1.2276 O   0  0  0  0  0
    3.0294   15.2357    0.1803 C   0  0  0  0  0
    2.4473   14.0315   -0.1342 C   0  0  0  0  0
    7.3299    8.0361   -2.0106 C   0  0  0  0  0
    6.8041    8.0586   -3.3115 C   0  0  0  0  0
    7.6314    8.2834   -4.4230 C   0  0  0  0  0
    9.0002    8.5069   -4.2003 C   0  0  0  0  0
    9.5287    8.4951   -2.9079 C   0  0  0  0  0
    8.6963    8.2602   -1.8161 C   0  0  0  0  0
    7.1093    8.3412   -5.8399 C   0  0  0  0  0
    5.7588    7.8130   -6.0066 N   0  0  0  0  0
    6.9631   -0.5748    4.3662 H   0  0  0  0  0
    6.8055    1.1537    4.7338 H   0  0  0  0  0
    8.1684    0.5811    3.7627 H   0  0  0  0  0
    5.2143    0.4923    2.9188 H   0  0  0  0  0
    6.5630   -0.1228    1.9491 H   0  0  0  0  0
    6.6642    2.7022    2.7805 H   0  0  0  0  0
    7.9282    4.0692    1.5612 H   0  0  0  0  0
    8.0890    6.4094    0.8369 H   0  0  0  0  0
    4.5258    5.9338   -1.5425 H   0  0  0  0  0
    4.3313    3.5895   -0.7808 H   0  0  0  0  0
    6.3133   10.3607   -1.6214 H   0  0  0  0  0
    6.4568   10.7591    0.0834 H   0  0  0  0  0
    4.5433   11.9029   -1.0573 H   0  0  0  0  0
    2.6792   10.7113   -1.9912 H   0  0  0  0  0
    3.9751    9.5988   -2.4411 H   0  0  0  0  0
    1.7716    9.1602   -0.6093 H   0  0  0  0  0
    3.0552    8.0070   -0.9794 H   0  0  0  0  0
    2.8100    9.1112    1.5528 H   0  0  0  0  0
    5.2988    8.8909    1.8571 H   0  0  0  0  0
    4.5513    7.4983    1.0912 H   0  0  0  0  0
    2.2307   11.4280    1.8550 H   0  0  0  0  0
    1.8315   11.3972    0.1437 H   0  0  0  0  0
    4.4818   13.5047    2.4136 H   0  0  0  0  0
    2.9480   16.2360   -0.2213 H   0  0  0  0  0
    1.7288   13.8599   -0.9236 H   0  0  0  0  0
    5.7370    7.9003   -3.4524 H   0  0  0  0  0
    9.6666    8.6955   -5.0395 H   0  0  0  0  0
   10.5905    8.6679   -2.7534 H   0  0  0  0  0
    9.1167    8.2502   -0.8140 H   0  0  0  0  0
    7.7809    7.7672   -6.4901 H   0  0  0  0  0
    7.1246    9.3836   -6.1743 H   0  0  0  0  0
    5.7659    6.8231   -5.7600 H   0  0  0  0  0
    5.5085    7.8557   -6.9922 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
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 11 44  1  0  0  0
 12 27  1  0  0  0
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 20 21  1  0  0  0
 21 22  1  0  0  0
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 23 24  1  0  0  0
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 24 25  1  0  0  0
 25 26  2  0  0  0
 25 58  1  0  0  0
 26 59  1  0  0  0
 27 28  2  0  0  0
 27 32  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 29 30  2  0  0  0
 29 33  1  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 31 32  2  0  0  0
 31 62  1  0  0  0
 32 63  1  0  0  0
 33 34  1  0  0  0
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 34 66  1  0  0  0
 34 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL365863

>  <PubChem CID>
44395627

>  <Formula>
C29H33N3O2

>  <Molecular Weight>
455.602000

>  <IUPAC Name>
4-[[3-(aminomethyl)phenyl]-[8-(furan-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]-N-ethylbenzamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCNC(=O)C1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CC4=COC=C4)C5=CC(=CC=C5)CN

>  <Isomeric SMILES>
CCNC(=O)C1=CC=C(C=C1)C(=C2CC3CCC(C2)N3CC4=COC=C4)C5=CC(=CC=C5)CN

>  <InChI Std. ID>
InChI=1S/C29H33N3O2/c1-2-31-29(33)23-8-6-22(7-9-23)28(24-5-3-4-20(14-24)17-30)25-15-26-10-11-27(16-25)32(26)18-21-12-13-34-19-21/h3-9,12-14,19,26-27H,2,10-11,15-18,30H2,1H3,(H,31,33)

>  <InChI Key>
DFULXWMDDNTBGP-UHFFFAOYSA-N

