
 CHEMBL193462

 65 68  0  0  0  0  0  0  0  0999 V2000
    2.0334    6.7595   -6.5745 C   0  0  0  0  0
    3.0661    5.7647   -6.8861 N   0  0  0  0  0
    3.4044    5.8383   -8.3081 C   0  0  0  0  0
    4.2384    5.9887   -6.0189 C   0  0  0  0  0
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    6.5171    5.2352   -5.2363 C   0  0  0  0  0
    6.0798    5.2051   -3.8788 O   0  0  0  0  0
    6.9065    5.7677   -2.9488 C   0  0  0  0  0
    6.8774    5.1667   -1.6899 C   0  0  0  0  0
    7.6172    5.6978   -0.6314 C   0  0  0  0  0
    8.3862    6.8539   -0.8146 C   0  0  0  0  0
    8.4128    7.4520   -2.0812 C   0  0  0  0  0
    7.6724    6.9163   -3.1409 C   0  0  0  0  0
    9.1389    7.4671    0.3443 C   0  0  0  0  0
   10.5975    7.4396    0.1842 N   0  0  0  0  0
   11.2581    8.0916    1.3181 C   0  0  0  0  0
   12.7029    7.6461    1.1826 C   0  0  0  0  0
   12.6269    6.2537    0.5530 C   0  0  0  0  0
   11.1463    6.0708    0.1740 C   0  0  0  0  0
   13.5203    6.1629   -0.5902 N   0  0  0  0  0
   13.9589    4.9457   -1.0678 C   0  0  0  0  0
   13.6737    3.8707   -0.5553 O   0  0  0  0  0
   14.8011    5.0061   -2.2955 C   0  0  0  0  0
   14.7946    3.9175   -3.1750 C   0  0  0  0  0
   15.5611    3.9438   -4.3523 C   0  0  0  0  0
   15.5535    2.8687   -5.2552 C   0  0  0  0  0
   16.3131    2.9142   -6.4256 C   0  0  0  0  0
   17.0918    4.0327   -6.7079 C   0  0  0  0  0
   17.1157    5.1080   -5.8190 C   0  0  0  0  0
   16.3566    5.0787   -4.6388 C   0  0  0  0  0
   16.3758    6.1523   -3.7361 C   0  0  0  0  0
   15.6075    6.1165   -2.5706 C   0  0  0  0  0
    1.7197    6.6766   -5.5278 H   0  0  0  0  0
    1.1371    6.5914   -7.1820 H   0  0  0  0  0
    2.3818    7.7841   -6.7505 H   0  0  0  0  0
    2.5020    5.7581   -8.9253 H   0  0  0  0  0
    4.0426    5.0005   -8.6049 H   0  0  0  0  0
    3.9115    6.7751   -8.5651 H   0  0  0  0  0
    3.8955    5.9990   -4.9760 H   0  0  0  0  0
    4.6751    6.9765   -6.2179 H   0  0  0  0  0
    5.6949    4.8395   -7.1702 H   0  0  0  0  0
    4.9036    3.9375   -5.8646 H   0  0  0  0  0
    6.9163    6.2081   -5.5362 H   0  0  0  0  0
    7.2988    4.4786   -5.3704 H   0  0  0  0  0
    6.2684    4.2804   -1.5304 H   0  0  0  0  0
    7.5757    5.2093    0.3390 H   0  0  0  0  0
    9.0002    8.3540   -2.2406 H   0  0  0  0  0
    7.6868    7.4455   -4.0863 H   0  0  0  0  0
    8.8382    6.9797    1.2817 H   0  0  0  0  0
    8.8040    8.5101    0.4281 H   0  0  0  0  0
   10.8537    7.7488    2.2793 H   0  0  0  0  0
   11.1693    9.1818    1.2720 H   0  0  0  0  0
   13.2557    8.3489    0.5465 H   0  0  0  0  0
   13.2045    7.6196    2.1557 H   0  0  0  0  0
   12.9176    5.4872    1.2812 H   0  0  0  0  0
   11.0181    5.5914   -0.8022 H   0  0  0  0  0
   10.6592    5.4486    0.9361 H   0  0  0  0  0
   13.5082    6.9414   -1.2351 H   0  0  0  0  0
   14.1800    3.0498   -2.9406 H   0  0  0  0  0
   14.9521    1.9849   -5.0526 H   0  0  0  0  0
   16.2958    2.0751   -7.1164 H   0  0  0  0  0
   17.6826    4.0689   -7.6195 H   0  0  0  0  0
   17.7326    5.9719   -6.0564 H   0  0  0  0  0
   16.9962    7.0244   -3.9319 H   0  0  0  0  0
   15.6676    6.9510   -1.8775 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 11  2  0  0  0
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 11 12  1  0  0  0
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 15 19  1  0  0  0
 15 16  1  0  0  0
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 20 21  1  0  0  0
 20 58  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 32  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 59  1  0  0  0
 25 30  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 60  1  0  0  0
 27 28  2  0  0  0
 27 61  1  0  0  0
 28 29  1  0  0  0
 28 62  1  0  0  0
 29 30  2  0  0  0
 29 63  1  0  0  0
 30 31  1  0  0  0
 31 32  2  0  0  0
 31 64  1  0  0  0
 32 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL193462

>  <PubChem CID>
44399268

>  <Formula>
C27H33N3O2

>  <Molecular Weight>
431.580000

>  <IUPAC Name>
N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]naphthalene-2-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCCOC1=CC=C(C=C1)CN2CCC(C2)NC(=O)C3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
CN(C)CCCOC1=CC=C(C=C1)CN2CC[C@@H](C2)NC(=O)C3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C27H33N3O2/c1-29(2)15-5-17-32-26-12-8-21(9-13-26)19-30-16-14-25(20-30)28-27(31)24-11-10-22-6-3-4-7-23(22)18-24/h3-4,6-13,18,25H,5,14-17,19-20H2,1-2H3,(H,28,31)/t25-/m0/s1

>  <InChI Key>
FADFRYSUFZCBAP-VWLOTQADSA-N

