
 CHEMBL61947

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.4715    1.6114    0.0955 C   0  0  0  0  0
   -0.9216    1.3658   -0.4719 C   0  0  0  0  0
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    0.1353   -0.6148   -1.5085 C   0  0  0  0  0
    1.1081   -0.8191   -0.3398 C   0  0  0  0  0
    1.1303    0.3519    0.6783 C   0  0  0  0  0
    0.6500    0.0324    2.0582 N   0  0  0  0  0
   -0.4892   -0.7560    2.2560 C   0  0  0  0  0
   -1.1057   -1.3316    1.3654 O   0  0  0  0  0
   -1.0264   -0.8425    3.6604 C   0  0  0  0  0
    0.1016   -1.0830    4.6283 C   0  0  0  0  0
    1.0943    0.0309    4.4780 C   0  0  0  0  0
    1.7929    0.4845    5.6069 C   0  0  0  0  0
    2.7307    1.5024    5.4865 C   0  0  0  0  0
    2.9782    2.0635    4.2390 C   0  0  0  0  0
    2.2981    1.5989    3.1063 C   0  0  0  0  0
    1.3515    0.5689    3.2021 C   0  0  0  0  0
   -2.3923   -0.2921   -1.4457 C   0  0  0  0  0
   -3.2847    0.5608   -1.4841 O   0  0  0  0  0
   -2.8030   -1.7079   -1.7030 C   0  0  0  0  0
   -3.9929   -1.9253   -2.4160 C   0  0  0  0  0
   -4.5439   -3.2084   -2.5201 C   0  0  0  0  0
   -3.9263   -4.2900   -1.8951 C   0  0  0  0  0
   -2.7163   -4.0973   -1.2348 C   0  0  0  0  0
   -2.1719   -2.8117   -1.1222 C   0  0  0  0  0
   -4.5495   -5.5014   -2.0142 O   0  0  0  0  0
   -4.6243   -6.2808   -0.8105 C   0  0  0  0  0
   -5.8569   -5.8935    0.0187 C   0  0  0  0  0
   -5.9810   -6.6994    1.2355 N   0  0  0  0  0
    1.1105    1.9778   -0.7201 H   0  0  0  0  0
    0.4280    2.4228    0.8309 H   0  0  0  0  0
   -1.1548    2.1364   -1.2173 H   0  0  0  0  0
   -1.6696    1.4559    0.3252 H   0  0  0  0  0
   -0.0641   -1.5559   -2.0249 H   0  0  0  0  0
    0.6055    0.0305   -2.2626 H   0  0  0  0  0
    0.9314   -1.7786    0.1556 H   0  0  0  0  0
    2.1113   -0.9176   -0.7784 H   0  0  0  0  0
    2.2006    0.5668    0.7822 H   0  0  0  0  0
   -1.7412   -1.6718    3.7151 H   0  0  0  0  0
   -1.5700    0.0846    3.8770 H   0  0  0  0  0
    0.6013   -2.0379    4.4256 H   0  0  0  0  0
   -0.3001   -1.1185    5.6469 H   0  0  0  0  0
    1.6024    0.0443    6.5837 H   0  0  0  0  0
    3.2636    1.8565    6.3649 H   0  0  0  0  0
    3.7025    2.8684    4.1441 H   0  0  0  0  0
    2.5213    2.0912    2.1660 H   0  0  0  0  0
   -4.5240   -1.0832   -2.8565 H   0  0  0  0  0
   -5.4792   -3.3506   -3.0546 H   0  0  0  0  0
   -2.1798   -4.9236   -0.7802 H   0  0  0  0  0
   -1.2774   -2.6956   -0.5226 H   0  0  0  0  0
   -3.7137   -6.2321   -0.2050 H   0  0  0  0  0
   -4.7210   -7.3259   -1.1277 H   0  0  0  0  0
   -6.7607   -6.0098   -0.5907 H   0  0  0  0  0
   -5.8046   -4.8347    0.2947 H   0  0  0  0  0
   -6.1241   -7.6777    0.9876 H   0  0  0  0  0
   -6.8180   -6.4099    1.7415 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  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
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  2  0  0  0
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 13 14  1  0  0  0
 13 43  1  0  0  0
 14 15  2  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 16 17  2  0  0  0
 16 46  1  0  0  0
 18 20  1  0  0  0
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 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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 22 23  2  0  0  0
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 23 24  1  0  0  0
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 25 50  1  0  0  0
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 28 54  1  0  0  0
 29 55  1  0  0  0
 29 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL61947

>  <PubChem CID>
14969543

>  <Formula>
C23H27N3O3

>  <Molecular Weight>
393.487000

>  <IUPAC Name>
1-[1-[4-(2-aminoethoxy)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCN

>  <Isomeric SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OCCN

>  <InChI Std. ID>
InChI=1S/C23H27N3O3/c24-13-16-29-20-8-5-18(6-9-20)23(28)25-14-11-19(12-15-25)26-21-4-2-1-3-17(21)7-10-22(26)27/h1-6,8-9,19H,7,10-16,24H2

>  <InChI Key>
GHVNTFNFZKZDAD-UHFFFAOYSA-N

