
 CHEMBL35972

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.6210   -1.3625   -2.1452 C   0  0  0  0  0
    1.8602   -0.5902   -2.0873 N   0  0  0  0  0
    3.0512   -1.4494   -2.0852 C   0  0  0  0  0
    3.3699   -2.0752   -3.4460 C   0  0  0  0  0
    3.4645   -1.0231   -4.5635 C   0  0  0  0  0
    2.2182   -0.1279   -4.5367 C   0  0  0  0  0
    1.9295    0.4308   -3.1395 C   0  0  0  0  0
    4.7571   -0.1900   -4.4804 C   0  0  0  0  0
    5.8736   -1.0749   -4.6058 O   0  0  0  0  0
    7.1000   -0.4390   -4.5479 C   0  0  0  0  0
    7.1318    0.9046   -4.4613 N   0  0  0  0  0
    8.3271    1.5036   -4.4060 C   0  0  0  0  0
    8.3512    2.8858   -4.2725 C   0  0  0  0  0
    9.5462    3.6018   -4.1926 C   0  0  0  0  0
   10.7542    2.9233   -4.2407 C   0  0  0  0  0
   10.7565    1.5353   -4.3763 C   0  0  0  0  0
    9.5494    0.7976   -4.4734 C   0  0  0  0  0
    9.4858   -0.6154   -4.6325 C   0  0  0  0  0
    8.2313   -1.2459   -4.6052 C   0  0  0  0  0
    8.1000   -2.7423   -4.7019 C   0  0  0  0  0
    9.4092   -3.4503   -4.3829 C   0  0  0  0  0
   10.5384   -2.7667   -5.1302 C   0  0  0  0  0
   10.6743   -1.3865   -4.6796 N   0  0  0  0  0
   -0.2462   -0.6990   -2.0548 H   0  0  0  0  0
    0.5656   -2.0591   -1.3013 H   0  0  0  0  0
    0.5121   -1.9390   -3.0690 H   0  0  0  0  0
    2.9428   -2.2419   -1.3344 H   0  0  0  0  0
    3.9081   -0.8531   -1.7487 H   0  0  0  0  0
    4.2993   -2.6515   -3.3740 H   0  0  0  0  0
    2.5874   -2.7991   -3.7064 H   0  0  0  0  0
    3.4884   -1.5632   -5.5198 H   0  0  0  0  0
    2.3312    0.7008   -5.2458 H   0  0  0  0  0
    1.3543   -0.7093   -4.8824 H   0  0  0  0  0
    2.7099    1.1527   -2.8689 H   0  0  0  0  0
    0.9994    1.0123   -3.1630 H   0  0  0  0  0
    4.8129    0.3506   -3.5290 H   0  0  0  0  0
    4.7646    0.5312   -5.3075 H   0  0  0  0  0
    7.4065    3.4229   -4.2228 H   0  0  0  0  0
    9.5264    4.6828   -4.0843 H   0  0  0  0  0
   11.6924    3.4669   -4.1671 H   0  0  0  0  0
   11.7169    1.0274   -4.3880 H   0  0  0  0  0
    7.3319   -3.1068   -4.0097 H   0  0  0  0  0
    7.7828   -2.9971   -5.7208 H   0  0  0  0  0
    9.6004   -3.4122   -3.3026 H   0  0  0  0  0
    9.3425   -4.5066   -4.6654 H   0  0  0  0  0
   10.3694   -2.7947   -6.2139 H   0  0  0  0  0
   11.4799   -3.2913   -4.9346 H   0  0  0  0  0
   11.4186   -0.8949   -5.1667 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
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 14 15  2  0  0  0
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 18 23  1  0  0  0
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 23 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL35972

>  <PubChem CID>
9857899

>  <Formula>
C19H25N3O

>  <Molecular Weight>
311.429000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC(CC1)COC2=NC3=CC=CC=C3C4=C2CCCN4

>  <Isomeric SMILES>
CN1CCC(CC1)COC2=NC3=CC=CC=C3C4=C2CCCN4

>  <InChI Std. ID>
InChI=1S/C19H25N3O/c1-22-11-8-14(9-12-22)13-23-19-16-6-4-10-20-18(16)15-5-2-3-7-17(15)21-19/h2-3,5,7,14,20H,4,6,8-13H2,1H3

>  <InChI Key>
FEJCPBJPOXKMKM-UHFFFAOYSA-N

