
 CHEMBL3925231

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.7007    6.4315    2.9530 C   0  0  0  0  0
    2.7635    5.4091    2.6705 C   0  0  0  0  0
    2.5208    4.3498    1.7856 C   0  0  0  0  0
    3.5539    3.4377    1.5701 C   0  0  0  0  0
    4.7747    3.6058    2.2208 C   0  0  0  0  0
    4.9237    4.6850    3.0719 C   0  0  0  0  0
    3.9507    5.5870    3.3104 N   0  0  0  0  0
    1.2792    4.2890    1.2128 O   0  0  0  0  0
    1.0871    3.3226    0.1762 C   0  0  0  0  0
   -0.3309    3.4634   -0.4057 C   0  0  0  0  0
   -0.5707    4.8257   -1.0969 C   0  0  0  0  0
    0.1831    4.9508   -2.3644 N   0  0  0  0  0
   -0.1866    3.8122   -3.2359 C   0  0  0  0  0
    0.0461    2.4630   -2.5401 C   0  0  0  0  0
   -0.6539    2.3741   -1.2925 O   0  0  0  0  0
   -0.1035    6.2257   -3.0641 C   0  0  0  0  0
    0.2798    7.4968   -2.2722 C   0  0  0  0  0
    0.0805    8.7135   -3.0707 N   0  0  0  0  0
    1.0756    9.7939   -2.8985 C   0  0  0  0  0
    0.4189   11.1087   -3.3444 C   0  0  0  0  0
   -1.0148   10.7756   -3.1141 C   0  0  0  0  0
   -2.0986   11.6396   -3.0744 C   0  0  0  0  0
   -3.3655   11.0949   -2.8748 C   0  0  0  0  0
   -3.5246    9.7105   -2.7302 C   0  0  0  0  0
   -2.4177    8.8541   -2.7773 C   0  0  0  0  0
   -1.1538    9.3904   -2.9647 C   0  0  0  0  0
    1.4329    6.9642    2.0349 H   0  0  0  0  0
    2.0548    7.1694    3.6807 H   0  0  0  0  0
    0.8093    5.9510    3.3682 H   0  0  0  0  0
    3.4416    2.5851    0.9096 H   0  0  0  0  0
    5.5896    2.9074    2.0673 H   0  0  0  0  0
    5.8562    4.8578    3.6014 H   0  0  0  0  0
    1.1930    2.3095    0.5841 H   0  0  0  0  0
    1.8392    3.4623   -0.6089 H   0  0  0  0  0
   -1.0398    3.3980    0.4293 H   0  0  0  0  0
   -0.2901    5.6209   -0.3997 H   0  0  0  0  0
   -1.6449    4.9293   -1.3018 H   0  0  0  0  0
   -1.2463    3.8845   -3.5152 H   0  0  0  0  0
    0.4066    3.8374   -4.1574 H   0  0  0  0  0
   -0.3263    1.6549   -3.1781 H   0  0  0  0  0
    1.1132    2.2765   -2.3783 H   0  0  0  0  0
   -1.1588    6.2641   -3.3551 H   0  0  0  0  0
    0.4708    6.2387   -4.0003 H   0  0  0  0  0
    1.3424    7.4139   -2.0073 H   0  0  0  0  0
   -0.2708    7.5728   -1.3276 H   0  0  0  0  0
    1.9831    9.5865   -3.4755 H   0  0  0  0  0
    1.3629    9.8695   -1.8401 H   0  0  0  0  0
    0.5967   11.3023   -4.4072 H   0  0  0  0  0
    0.7646   11.9544   -2.7434 H   0  0  0  0  0
   -1.9680   12.7095   -3.1969 H   0  0  0  0  0
   -4.2360   11.7447   -2.8385 H   0  0  0  0  0
   -4.5190    9.2951   -2.5873 H   0  0  0  0  0
   -2.5740    7.7881   -2.6742 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 17 45  1  0  0  0
 18 26  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3925231

>  <PubChem CID>
71062664

>  <Formula>
C21H27N3O2

>  <Molecular Weight>
353.466000

>  <IUPAC Name>
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(2-methylpyridin-3-yl)oxymethyl]morpholine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC=N1)OCC2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=C(C=CC=N1)OC[C@@H]2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C21H27N3O2/c1-17-21(7-4-9-22-17)26-16-19-15-23(13-14-25-19)11-12-24-10-8-18-5-2-3-6-20(18)24/h2-7,9,19H,8,10-16H2,1H3/t19-/m0/s1

>  <InChI Key>
DYMQPSSXRFHPQS-IBGZPJMESA-N

