
 CHEMBL287299

 54 57  0  0  0  0  0  0  0  0999 V2000
    0.8739    0.5016   -6.8055 C   0  0  0  0  0
    1.0095    1.1547   -5.4387 C   0  0  0  0  0
    2.0399    0.4697   -4.5278 C   0  0  0  0  0
    3.4108    0.3934   -5.0600 N   0  0  0  0  0
    4.0036    1.6920   -5.4079 C   0  0  0  0  0
    4.3242    2.5615   -4.1909 C   0  0  0  0  0
    5.2364    1.8374   -3.1879 C   0  0  0  0  0
    4.6835    0.4371   -2.8824 C   0  0  0  0  0
    4.3028   -0.3431   -4.1485 C   0  0  0  0  0
    6.6956    1.7642   -3.6732 C   0  0  0  0  0
    7.1862    3.0955   -3.8638 O   0  0  0  0  0
    8.5027    3.1432   -4.2850 C   0  0  0  0  0
    9.1582    1.9831   -4.4757 N   0  0  0  0  0
   10.4385    2.0372   -4.8545 C   0  0  0  0  0
   11.1199    3.2494   -5.0998 C   0  0  0  0  0
   12.4922    3.1892   -5.4530 C   0  0  0  0  0
   13.1476    1.9667   -5.5805 C   0  0  0  0  0
   12.4608    0.7836   -5.3615 C   0  0  0  0  0
   11.1136    0.8334   -4.9986 C   0  0  0  0  0
   14.8128    1.9252   -6.0079 Cl  0  0  0  0  0
   10.3827    4.4590   -4.9699 C   0  0  0  0  0
    9.0626    4.3996   -4.4880 C   0  0  0  0  0
    8.2547    5.6486   -4.2590 C   0  0  0  0  0
    9.1334    6.8898   -4.1740 C   0  0  0  0  0
   10.1361    6.8684   -5.3119 C   0  0  0  0  0
   11.0116    5.7089   -5.1865 N   0  0  0  0  0
    0.1232    1.0320   -7.3992 H   0  0  0  0  0
    0.5542   -0.5401   -6.7091 H   0  0  0  0  0
    1.8158    0.5246   -7.3600 H   0  0  0  0  0
    0.0330    1.1197   -4.9385 H   0  0  0  0  0
    1.2460    2.2178   -5.5583 H   0  0  0  0  0
    1.6828   -0.5530   -4.3488 H   0  0  0  0  0
    2.0163    0.9767   -3.5568 H   0  0  0  0  0
    3.3627    2.2464   -6.1019 H   0  0  0  0  0
    4.9230    1.5102   -5.9793 H   0  0  0  0  0
    4.7788    3.5015   -4.5248 H   0  0  0  0  0
    3.3911    2.8437   -3.6866 H   0  0  0  0  0
    5.2350    2.4258   -2.2610 H   0  0  0  0  0
    5.4140   -0.1422   -2.3042 H   0  0  0  0  0
    3.8014    0.5372   -2.2377 H   0  0  0  0  0
    5.2147   -0.6121   -4.6962 H   0  0  0  0  0
    3.8477   -1.3009   -3.8657 H   0  0  0  0  0
    6.7627    1.2010   -4.6113 H   0  0  0  0  0
    7.2959    1.2595   -2.9045 H   0  0  0  0  0
   13.0600    4.1013   -5.6093 H   0  0  0  0  0
   12.9590   -0.1776   -5.4589 H   0  0  0  0  0
   10.5777   -0.0951   -4.8143 H   0  0  0  0  0
    7.5435    5.7584   -5.0875 H   0  0  0  0  0
    7.6779    5.5691   -3.3296 H   0  0  0  0  0
    8.5143    7.7920   -4.2216 H   0  0  0  0  0
    9.6625    6.9069   -3.2121 H   0  0  0  0  0
   10.7506    7.7745   -5.2782 H   0  0  0  0  0
    9.6296    6.8550   -6.2851 H   0  0  0  0  0
   11.6947    5.6637   -5.9387 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 11 12  1  0  0  0
 12 22  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 21  1  0  0  0
 16 17  2  0  0  0
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 17 18  1  0  0  0
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 21 22  2  0  0  0
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 26 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL287299

>  <PubChem CID>
10177387

>  <Formula>
C21H28ClN3O

>  <Molecular Weight>
373.925000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN1CCC(CC1)COC2=NC3=C(C=C(C=C3)Cl)C4=C2CCCN4

>  <Isomeric SMILES>
CCCN1CCC(CC1)COC2=NC3=C(C=C(C=C3)Cl)C4=C2CCCN4

>  <InChI Std. ID>
InChI=1S/C21H28ClN3O/c1-2-10-25-11-7-15(8-12-25)14-26-21-17-4-3-9-23-20(17)18-13-16(22)5-6-19(18)24-21/h5-6,13,15,23H,2-4,7-12,14H2,1H3

>  <InChI Key>
FGMBGIOKYWHDQV-UHFFFAOYSA-N

