
 CHEMBL48925

 65 67  0  0  0  0  0  0  0  0999 V2000
    1.2324   -0.5176    0.5869 C   0  0  0  0  0
    2.6861   -0.2627    0.2050 C   0  0  0  0  0
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    9.1420    2.6412   -3.3931 C   0  0  0  0  0
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    4.4100    5.1613    1.4946 C   0  0  0  0  0
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    1.9229    6.3067    3.9018 C   0  0  0  0  0
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    6.0832    3.4636    0.1893 C   0  0  0  0  0
    1.0397   -1.5939    0.6492 H   0  0  0  0  0
    0.5559   -0.0982   -0.1656 H   0  0  0  0  0
    0.9897   -0.0703    1.5552 H   0  0  0  0  0
    2.8530   -0.7429   -0.7620 H   0  0  0  0  0
    3.3445   -0.7513    0.9330 H   0  0  0  0  0
    2.7848    1.5875    1.1888 H   0  0  0  0  0
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    3.8894    1.7734   -2.2802 H   0  0  0  0  0
    4.3256    0.1637   -1.7526 H   0  0  0  0  0
    6.2787    2.3589   -2.3967 H   0  0  0  0  0
    5.9035    0.9249   -3.3028 H   0  0  0  0  0
    6.7416   -0.5597   -1.5153 H   0  0  0  0  0
    7.1621    0.8190   -0.5130 H   0  0  0  0  0
    8.3521    0.1766   -3.2691 H   0  0  0  0  0
    9.1377   -0.0763   -1.7045 H   0  0  0  0  0
    9.2668    2.2927   -1.3527 H   0  0  0  0  0
    8.1297    4.3115   -1.5720 H   0  0  0  0  0
    8.6314    6.6803   -1.1874 H   0  0  0  0  0
   10.2722    7.8469   -2.6413 H   0  0  0  0  0
   11.4308    6.6262   -4.4200 H   0  0  0  0  0
   12.4320    5.2868   -5.9139 H   0  0  0  0  0
   12.9434    3.5974   -5.8356 H   0  0  0  0  0
   13.0610    4.5864   -4.3742 H   0  0  0  0  0
    4.2210    3.6333   -0.8991 H   0  0  0  0  0
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    6.8324    7.3224    0.4424 H   0  0  0  0  0
    5.6662    8.8060    2.0459 H   0  0  0  0  0
    3.7704    7.9715    3.3436 H   0  0  0  0  0
    1.0904    5.7246    4.3068 H   0  0  0  0  0
    1.5020    7.1217    3.3041 H   0  0  0  0  0
    2.5006    6.6922    4.7480 H   0  0  0  0  0
    6.7384    2.9750   -0.5206 H   0  0  0  0  0
    6.4539    3.1692    1.1807 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
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  4 20  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
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  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL48925

>  <PubChem CID>
10342423

>  <Formula>
C25H34N2O4

>  <Molecular Weight>
426.557000

>  <IUPAC Name>
2-methoxy-N-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]benzamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCCCNC(=O)C1=CC=CC=C1OC)C2CC3=C(C=CC=C3OC)OC2

>  <Isomeric SMILES>
CCCN(CCCCNC(=O)C1=CC=CC=C1OC)C2CC3=C(C=CC=C3OC)OC2

>  <InChI Std. ID>
InChI=1S/C25H34N2O4/c1-4-15-27(19-17-21-23(30-3)12-9-13-24(21)31-18-19)16-8-7-14-26-25(28)20-10-5-6-11-22(20)29-2/h5-6,9-13,19H,4,7-8,14-18H2,1-3H3,(H,26,28)

>  <InChI Key>
CZSCSNOFEQMOLJ-UHFFFAOYSA-N

