
 CHEMBL606384

 55 59  0  0  0  0  0  0  0  0999 V2000
    2.5825    0.3511   -2.9914 C   0  0  0  0  0
    1.9954    0.1286   -1.5940 C   0  0  0  0  0
    2.6598   -1.0615   -0.8498 C   0  0  0  0  0
    2.6060   -2.3649   -1.5433 N   0  0  0  0  0
    3.3176   -3.3900   -0.7599 C   0  0  0  0  0
    3.4222   -4.7103   -1.5439 C   0  0  0  0  0
    2.1031   -5.1400   -2.1381 C   0  0  0  0  0
    1.1067   -4.2387   -2.2292 C   0  0  0  0  0
    1.2263   -2.8042   -1.8008 C   0  0  0  0  0
    1.9794   -6.5250   -2.5100 C   0  0  0  0  0
    0.7843   -7.2186   -2.4605 C   0  0  0  0  0
    1.0096   -8.5030   -2.8706 N   0  0  0  0  0
    2.3352   -8.6768   -3.1864 C   0  0  0  0  0
    2.9994   -9.8237   -3.6416 C   0  0  0  0  0
    4.3681   -9.7266   -3.8969 C   0  0  0  0  0
    5.0419   -8.5254   -3.7098 C   0  0  0  0  0
    4.3608   -7.3875   -3.2585 C   0  0  0  0  0
    2.9766   -7.4511   -2.9768 C   0  0  0  0  0
    2.0317    1.3888   -0.7635 C   0  0  0  0  0
    0.9310    2.0100   -0.2065 C   0  0  0  0  0
    1.2854    3.1266    0.4693 O   0  0  0  0  0
    2.6389    3.2573    0.3659 C   0  0  0  0  0
    3.1546    2.1939   -0.3777 C   0  0  0  0  0
    4.5482    2.1378   -0.5811 C   0  0  0  0  0
    5.3632    3.1333   -0.0275 C   0  0  0  0  0
    4.8107    4.1803    0.7103 C   0  0  0  0  0
    3.4284    4.2810    0.9111 C   0  0  0  0  0
    3.0153    5.3688    1.6619 O   0  0  0  0  0
    1.6482    5.7292    1.5014 C   0  0  0  0  0
    2.1523    1.2442   -3.4579 H   0  0  0  0  0
    2.3676   -0.4975   -3.6482 H   0  0  0  0  0
    3.6683    0.4808   -2.9619 H   0  0  0  0  0
    0.9327   -0.1122   -1.7343 H   0  0  0  0  0
    2.2094   -1.1536    0.1489 H   0  0  0  0  0
    3.7163   -0.8101   -0.6856 H   0  0  0  0  0
    2.8153   -3.5638    0.2018 H   0  0  0  0  0
    4.3375   -3.0539   -0.5344 H   0  0  0  0  0
    3.8138   -5.4766   -0.8639 H   0  0  0  0  0
    4.1482   -4.5680   -2.3527 H   0  0  0  0  0
    0.1399   -4.5262   -2.6317 H   0  0  0  0  0
    0.8009   -2.1936   -2.6049 H   0  0  0  0  0
    0.5979   -2.6668   -0.9113 H   0  0  0  0  0
   -0.2091   -6.9128   -2.1619 H   0  0  0  0  0
    0.3070   -9.2263   -2.9335 H   0  0  0  0  0
    2.4727  -10.7598   -3.7953 H   0  0  0  0  0
    4.9114  -10.5995   -4.2506 H   0  0  0  0  0
    6.1072   -8.4639   -3.9184 H   0  0  0  0  0
    4.9136   -6.4631   -3.1361 H   0  0  0  0  0
   -0.1276    1.7879   -0.2081 H   0  0  0  0  0
    4.9979    1.3323   -1.1542 H   0  0  0  0  0
    6.4399    3.0910   -0.1759 H   0  0  0  0  0
    5.4633    4.9424    1.1310 H   0  0  0  0  0
    1.5128    6.7185    1.9487 H   0  0  0  0  0
    0.9963    5.0349    2.0390 H   0  0  0  0  0
    1.3708    5.8062    0.4447 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 19  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 10  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 18  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 43  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 23  1  0  0  0
 20 21  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 50  1  0  0  0
 25 26  1  0  0  0
 25 51  1  0  0  0
 26 27  2  0  0  0
 26 52  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 53  1  0  0  0
 29 54  1  0  0  0
 29 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL606384

>  <PubChem CID>
11361175

>  <Formula>
C25H26N2O2

>  <Molecular Weight>
386.495000

>  <IUPAC Name>
3-[1-[2-(7-methoxy-1-benzofuran-3-yl)propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CN1CCC(=CC1)C2=CNC3=CC=CC=C32)C4=COC5=C4C=CC=C5OC

>  <Isomeric SMILES>
CC(CN1CCC(=CC1)C2=CNC3=CC=CC=C32)C4=COC5=C4C=CC=C5OC

>  <InChI Std. ID>
InChI=1S/C25H26N2O2/c1-17(22-16-29-25-20(22)7-5-9-24(25)28-2)15-27-12-10-18(11-13-27)21-14-26-23-8-4-3-6-19(21)23/h3-10,14,16-17,26H,11-13,15H2,1-2H3

>  <InChI Key>
AJOMKROPHNVIEM-UHFFFAOYSA-N

