
 CHEMBL36120

 51 54  0  0  0  0  0  0  0  0999 V2000
    3.9982    0.8720   -5.8586 C   0  0  0  0  0
    5.0068    0.7501   -4.7211 C   0  0  0  0  0
    4.5319    1.2846   -3.4303 N   0  0  0  0  0
    4.2037    2.7154   -3.5096 C   0  0  0  0  0
    3.7559    3.2788   -2.1573 C   0  0  0  0  0
    4.7880    3.0346   -1.0528 C   0  0  0  0  0
    5.1262    1.5389   -1.0202 C   0  0  0  0  0
    5.5448    1.0120   -2.3936 C   0  0  0  0  0
    6.0300    3.9242   -1.2426 C   0  0  0  0  0
    6.9237    3.7081   -0.1480 O   0  0  0  0  0
    8.0847    4.4565   -0.2247 C   0  0  0  0  0
    8.2564    5.2869   -1.2743 N   0  0  0  0  0
    9.3868    6.0029   -1.3343 C   0  0  0  0  0
    9.5651    6.8615   -2.4125 C   0  0  0  0  0
   10.7158    7.6390   -2.5563 C   0  0  0  0  0
   11.7220    7.5600   -1.6044 C   0  0  0  0  0
   11.5662    6.7053   -0.5140 C   0  0  0  0  0
   10.3997    5.9209   -0.3559 C   0  0  0  0  0
   10.1958    5.0349    0.7339 C   0  0  0  0  0
    9.0016    4.3035    0.8089 C   0  0  0  0  0
    8.7318    3.3625    1.9505 C   0  0  0  0  0
    9.6013    3.6894    3.1566 C   0  0  0  0  0
   11.0403    3.8453    2.7024 C   0  0  0  0  0
   11.1750    4.9503    1.7579 N   0  0  0  0  0
    4.3553    0.3155   -6.7305 H   0  0  0  0  0
    3.8640    1.9113   -6.1700 H   0  0  0  0  0
    3.0255    0.4620   -5.5721 H   0  0  0  0  0
    5.9456    1.2349   -5.0212 H   0  0  0  0  0
    5.2246   -0.3191   -4.5979 H   0  0  0  0  0
    3.3715    2.8703   -4.2052 H   0  0  0  0  0
    5.0546    3.2904   -3.8945 H   0  0  0  0  0
    3.5491    4.3514   -2.2553 H   0  0  0  0  0
    2.8077    2.8052   -1.8700 H   0  0  0  0  0
    4.3415    3.2939   -0.0837 H   0  0  0  0  0
    5.9170    1.3333   -0.2901 H   0  0  0  0  0
    4.2423    0.9823   -0.6806 H   0  0  0  0  0
    6.5153    1.4389   -2.6750 H   0  0  0  0  0
    5.6889   -0.0722   -2.3046 H   0  0  0  0  0
    5.7122    4.9751   -1.2547 H   0  0  0  0  0
    6.5348    3.6914   -2.1870 H   0  0  0  0  0
    8.7839    6.9241   -3.1663 H   0  0  0  0  0
   10.8229    8.2979   -3.4143 H   0  0  0  0  0
   12.6269    8.1520   -1.7097 H   0  0  0  0  0
   12.3708    6.6377    0.2152 H   0  0  0  0  0
    7.6812    3.4159    2.2586 H   0  0  0  0  0
    8.9316    2.3380    1.6124 H   0  0  0  0  0
    9.2551    4.6182    3.6278 H   0  0  0  0  0
    9.5187    2.8926    3.9036 H   0  0  0  0  0
   11.4039    2.9208    2.2372 H   0  0  0  0  0
   11.6846    4.0421    3.5664 H   0  0  0  0  0
   11.2340    5.8535    2.2284 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 11 20  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL36120

>  <PubChem CID>
9858485

>  <Formula>
C20H27N3O

>  <Molecular Weight>
325.456000

>  <IUPAC Name>
5-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1CCC(CC1)COC2=NC3=CC=CC=C3C4=C2CCCN4

>  <Isomeric SMILES>
CCN1CCC(CC1)COC2=NC3=CC=CC=C3C4=C2CCCN4

>  <InChI Std. ID>
InChI=1S/C20H27N3O/c1-2-23-12-9-15(10-13-23)14-24-20-17-7-5-11-21-19(17)16-6-3-4-8-18(16)22-20/h3-4,6,8,15,21H,2,5,7,9-14H2,1H3

>  <InChI Key>
BHTZPLFMKHSPED-UHFFFAOYSA-N

