
 CHEMBL2111962

 56 60  0  0  0  0  0  0  0  0999 V2000
   -0.4271   -1.1904   -4.5125 C   0  0  0  0  0
   -0.9990   -0.6573   -3.1917 C   0  0  0  0  0
   -0.0775   -0.9891   -1.9860 C   0  0  0  0  0
    0.1816   -2.4059   -1.7545 N   0  0  0  0  0
    1.4295   -2.9706   -1.8041 C   0  0  0  0  0
    1.3310   -4.3192   -1.5051 C   0  0  0  0  0
   -0.0529   -4.5640   -1.2049 C   0  0  0  0  0
   -0.7882   -5.6991   -0.7900 C   0  0  0  0  0
   -2.1695   -5.6105   -0.5918 C   0  0  0  0  0
   -2.8283   -4.4013   -0.7652 C   0  0  0  0  0
   -2.1268   -3.2524   -1.1359 C   0  0  0  0  0
   -0.7438   -3.3537   -1.3668 C   0  0  0  0  0
    2.4864   -5.2247   -1.5075 C   0  0  0  0  0
    3.6284   -4.8106   -1.3249 O   0  0  0  0  0
    2.2797   -6.6651   -1.8356 C   0  0  0  0  0
    1.4766   -6.9622   -2.9494 C   0  0  0  0  0
    1.2421   -8.2802   -3.3191 C   0  0  0  0  0
    1.8325   -9.3134   -2.5987 C   0  0  0  0  0
    2.6693   -9.0483   -1.5022 C   0  0  0  0  0
    3.2676  -10.1173   -0.8170 C   0  0  0  0  0
    4.1072   -9.8921    0.2718 C   0  0  0  0  0
    4.3496   -8.5921    0.6942 C   0  0  0  0  0
    3.7559   -7.5154    0.0246 C   0  0  0  0  0
    2.9090   -7.7088   -1.0962 C   0  0  0  0  0
   -1.3236    0.7927   -3.1889 N   0  0  0  0  0
   -2.5587    1.1062   -3.9398 C   0  0  0  0  0
   -2.9104    2.6010   -3.8346 C   0  0  0  0  0
   -1.8358    3.4236   -4.3071 O   0  0  0  0  0
   -0.6461    3.1568   -3.5534 C   0  0  0  0  0
   -0.2398    1.6769   -3.6660 C   0  0  0  0  0
   -1.0787   -0.9455   -5.3574 H   0  0  0  0  0
   -0.3473   -2.2825   -4.4860 H   0  0  0  0  0
    0.5704   -0.7909   -4.7192 H   0  0  0  0  0
   -1.9428   -1.1890   -3.0287 H   0  0  0  0  0
   -0.5140   -0.6069   -1.0544 H   0  0  0  0  0
    0.8975   -0.5017   -2.1063 H   0  0  0  0  0
    2.3041   -2.3829   -2.0569 H   0  0  0  0  0
   -0.2954   -6.6520   -0.6180 H   0  0  0  0  0
   -2.7267   -6.4934   -0.2891 H   0  0  0  0  0
   -3.9015   -4.3433   -0.5994 H   0  0  0  0  0
   -2.6545   -2.3096   -1.2374 H   0  0  0  0  0
    1.0249   -6.1652   -3.5369 H   0  0  0  0  0
    0.6058   -8.5032   -4.1711 H   0  0  0  0  0
    1.6419  -10.3394   -2.9082 H   0  0  0  0  0
    3.0901  -11.1441   -1.1315 H   0  0  0  0  0
    4.5704  -10.7307    0.7854 H   0  0  0  0  0
    5.0064   -8.4090    1.5409 H   0  0  0  0  0
    3.9798   -6.5147    0.3869 H   0  0  0  0  0
   -3.3994    0.5259   -3.5431 H   0  0  0  0  0
   -2.4361    0.8489   -4.9985 H   0  0  0  0  0
   -3.7885    2.8194   -4.4509 H   0  0  0  0  0
   -3.1519    2.8810   -2.8019 H   0  0  0  0  0
    0.1496    3.7909   -3.9573 H   0  0  0  0  0
   -0.8052    3.4481   -2.5079 H   0  0  0  0  0
   -0.0105    1.4646   -4.7173 H   0  0  0  0  0
    0.6713    1.5256   -3.0792 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 25  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 26 27  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 27 52  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
 29 54  1  0  0  0
 30 55  1  0  0  0
 30 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2111962

>  <PubChem CID>
71449059

>  <Formula>
C26H26N2O2

>  <Molecular Weight>
398.506000

>  <IUPAC Name>
[1-[(2R)-2-morpholin-4-ylpropyl]indol-3-yl]-naphthalen-1-ylmethanone

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)N5CCOCC5

>  <Isomeric SMILES>
C[C@H](CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)N5CCOCC5

>  <InChI Std. ID>
InChI=1S/C26H26N2O2/c1-19(27-13-15-30-16-14-27)17-28-18-24(22-10-4-5-12-25(22)28)26(29)23-11-6-8-20-7-2-3-9-21(20)23/h2-12,18-19H,13-17H2,1H3/t19-/m1/s1

>  <InChI Key>
ANSTVJWVIZXBHO-LJQANCHMSA-N

