
 CHEMBL1642121

 60 64  0  0  0  0  0  0  0  0999 V2000
   -1.2757   -2.3775   -2.7439 C   0  0  0  0  0
   -0.2853   -2.6393   -3.7839 N   0  0  0  0  0
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    4.9605    1.0727   -6.7967 N   0  0  0  0  0
    4.6568   -0.1328   -6.0291 C   0  0  0  0  0
    3.6661   -0.1520   -5.0369 C   0  0  0  0  0
    5.2781    2.5260   -5.8865 S   0  0  0  0  0
    5.8273    3.5092   -6.7962 O   0  0  0  0  0
    4.1292    2.8512   -5.0689 O   0  0  0  0  0
    6.5941    2.0154   -4.7941 C   0  0  0  0  0
    6.2724    1.5522   -3.5141 C   0  0  0  0  0
    7.2757    1.0605   -2.6708 C   0  0  0  0  0
    6.9652    0.5463   -1.4030 C   0  0  0  0  0
    7.9676    0.0351   -0.5790 C   0  0  0  0  0
    9.2906    0.0345   -1.0121 C   0  0  0  0  0
    9.6160    0.5503   -2.2682 C   0  0  0  0  0
    8.6202    1.0685   -3.1110 C   0  0  0  0  0
    8.9288    1.5924   -4.3785 C   0  0  0  0  0
    7.9219    2.0750   -5.2167 C   0  0  0  0  0
    3.9240   -3.5947   -3.7644 O   0  0  0  0  0
    5.0703   -4.3883   -3.4661 C   0  0  0  0  0
   -1.5877   -3.3168   -2.2737 H   0  0  0  0  0
   -2.1788   -1.9371   -3.1810 H   0  0  0  0  0
   -0.9151   -1.7061   -1.9588 H   0  0  0  0  0
   -0.7990   -0.8406   -4.7886 H   0  0  0  0  0
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    0.5684   -0.0848   -2.8294 H   0  0  0  0  0
    2.7533   -2.8716   -2.0356 H   0  0  0  0  0
    1.3763   -1.9487   -1.5898 H   0  0  0  0  0
    1.4513   -3.7509   -4.0785 H   0  0  0  0  0
    0.6431   -4.1232   -2.5769 H   0  0  0  0  0
    5.6365   -3.3724   -5.7665 H   0  0  0  0  0
    6.6008   -0.5286   -9.3707 H   0  0  0  0  0
    4.8712   -0.6899   -9.0082 H   0  0  0  0  0
    5.5704    1.6593   -8.7337 H   0  0  0  0  0
    6.9085    1.1651   -7.6800 H   0  0  0  0  0
    3.1289    0.7698   -4.8452 H   0  0  0  0  0
    5.2363    1.5483   -3.1795 H   0  0  0  0  0
    5.9354    0.5334   -1.0506 H   0  0  0  0  0
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   10.0712   -0.3679   -0.3716 H   0  0  0  0  0
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    9.9607    1.6196   -4.7236 H   0  0  0  0  0
    8.1840    2.4784   -6.1915 H   0  0  0  0  0
    5.3277   -5.0282   -4.3158 H   0  0  0  0  0
    4.8106   -5.0434   -2.6287 H   0  0  0  0  0
    5.9250   -3.7754   -3.1598 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  7  1  0  0  0
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  3  4  1  0  0  0
  3 37  1  0  0  0
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  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
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  6 41  1  0  0  0
  6 42  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8 18  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
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 33 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1642121

>  <PubChem CID>
53321318

>  <Formula>
C25H27N3O4S

>  <Molecular Weight>
465.568000

>  <IUPAC Name>
6-methoxy-7-(4-methylpiperazin-1-yl)-1-naphthalen-2-ylsulfonyl-2,3-dihydroquinolin-4-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1CCN(CC1)C2=C(C=C3C(=O)CCN(C3=C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

>  <Isomeric SMILES>
CN1CCN(CC1)C2=C(C=C3C(=O)CCN(C3=C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)OC

>  <InChI Std. ID>
InChI=1S/C25H27N3O4S/c1-26-11-13-27(14-12-26)23-17-22-21(16-25(23)32-2)24(29)9-10-28(22)33(30,31)20-8-7-18-5-3-4-6-19(18)15-20/h3-8,15-17H,9-14H2,1-2H3

>  <InChI Key>
AMYPFPOCEWHTIS-UHFFFAOYSA-N

