
 CHEMBL3633663

 61 65  0  0  0  0  0  0  0  0999 V2000
    0.0439    1.8719   -0.5384 C   0  0  0  0  0
   -1.2861    1.8405    0.2071 C   0  0  0  0  0
   -1.9775    0.4995   -0.0509 C   0  0  0  0  0
   -1.0470   -0.6541    0.3583 C   0  0  0  0  0
    0.2338   -0.6181   -0.3802 N   0  0  0  0  0
    0.9175    0.6733   -0.1613 C   0  0  0  0  0
    1.1378   -1.7160    0.0617 C   0  0  0  0  0
    0.5329   -3.1141   -0.0847 C   0  0  0  0  0
    0.2294   -3.7028    0.9597 O   0  0  0  0  0
    0.3364   -3.7450   -1.4092 C   0  0  0  0  0
   -0.2776   -4.9913   -1.6201 C   0  0  0  0  0
   -0.2329   -5.2377   -2.9730 N   0  0  0  0  0
    0.4200   -4.2464   -3.6488 C   0  0  0  0  0
    0.7176   -4.1584   -5.0151 C   0  0  0  0  0
    1.3981   -3.0280   -5.4626 C   0  0  0  0  0
    1.7496   -2.0214   -4.5740 C   0  0  0  0  0
    1.4377   -2.1294   -3.2112 C   0  0  0  0  0
    0.7665   -3.2721   -2.7136 C   0  0  0  0  0
   -0.9024   -5.9931   -0.7392 C   0  0  0  0  0
   -0.6278   -7.3597   -0.9260 C   0  0  0  0  0
   -1.2449   -8.3344   -0.1366 C   0  0  0  0  0
   -2.1359   -7.9564    0.8626 C   0  0  0  0  0
   -2.4177   -6.6070    1.0626 C   0  0  0  0  0
   -1.8164   -5.6342    0.2571 C   0  0  0  0  0
   -3.2860    0.3602    0.7233 C   0  0  0  0  0
   -3.5013    1.0363    1.7315 O   0  0  0  0  0
   -4.1744   -0.6315    0.3004 N   0  0  0  0  0
   -4.2665   -1.0745   -1.0991 C   0  0  0  0  0
   -5.0046   -2.4085   -1.2449 C   0  0  0  0  0
   -6.2682   -2.3862   -0.5703 O   0  0  0  0  0
   -6.0734   -2.1388    0.8292 C   0  0  0  0  0
   -5.4218   -0.7734    1.0567 C   0  0  0  0  0
   -0.1399    1.8686   -1.6203 H   0  0  0  0  0
    0.5740    2.8030   -0.3077 H   0  0  0  0  0
   -1.9237    2.6677   -0.1270 H   0  0  0  0  0
   -1.1112    1.9897    1.2800 H   0  0  0  0  0
   -2.1857    0.4642   -1.1251 H   0  0  0  0  0
   -0.8669   -0.6190    1.4422 H   0  0  0  0  0
   -1.5597   -1.6017    0.1573 H   0  0  0  0  0
    1.2253    0.7750    0.8881 H   0  0  0  0  0
    1.8280    0.7105   -0.7717 H   0  0  0  0  0
    1.3929   -1.5822    1.1227 H   0  0  0  0  0
    2.0912   -1.6953   -0.4757 H   0  0  0  0  0
   -0.6199   -6.0610   -3.4115 H   0  0  0  0  0
    0.4369   -4.9460   -5.7079 H   0  0  0  0  0
    1.6511   -2.9336   -6.5156 H   0  0  0  0  0
    2.2736   -1.1397   -4.9355 H   0  0  0  0  0
    1.7265   -1.3104   -2.5633 H   0  0  0  0  0
    0.0827   -7.6833   -1.6825 H   0  0  0  0  0
   -1.0205   -9.3858   -0.2966 H   0  0  0  0  0
   -2.6051   -8.7103    1.4895 H   0  0  0  0  0
   -3.1024   -6.3060    1.8517 H   0  0  0  0  0
   -2.0607   -4.5895    0.4314 H   0  0  0  0  0
   -3.2792   -1.1723   -1.5531 H   0  0  0  0  0
   -4.8097   -0.2857   -1.6335 H   0  0  0  0  0
   -5.1925   -2.6132   -2.3036 H   0  0  0  0  0
   -4.4013   -3.2334   -0.8479 H   0  0  0  0  0
   -7.0530   -2.1738    1.3154 H   0  0  0  0  0
   -5.4603   -2.9440    1.2519 H   0  0  0  0  0
   -6.0915    0.0246    0.7142 H   0  0  0  0  0
   -5.2342   -0.6258    2.1258 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 19  1  0  0  0
 12 13  1  0  0  0
 12 44  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 15 16  2  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 17 18  2  0  0  0
 17 48  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 50  1  0  0  0
 22 23  1  0  0  0
 22 51  1  0  0  0
 23 24  2  0  0  0
 23 52  1  0  0  0
 24 53  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 29 30  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
 30 31  1  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 31 59  1  0  0  0
 32 60  1  0  0  0
 32 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633663

>  <PubChem CID>
122195453

>  <Formula>
C26H29N3O3

>  <Molecular Weight>
431.536000

>  <IUPAC Name>
2-[3-(morpholine-4-carbonyl)piperidin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(CN(C1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)N5CCOCC5

>  <Isomeric SMILES>
C1CC(CN(C1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)N5CCOCC5

>  <InChI Std. ID>
InChI=1S/C26H29N3O3/c30-23(18-28-12-6-9-20(17-28)26(31)29-13-15-32-16-14-29)24-21-10-4-5-11-22(21)27-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2

>  <InChI Key>
FKKXSOZSQAQHFN-UHFFFAOYSA-N

