
 CHEMBL484204

 58 59  0  0  0  0  0  0  0  0999 V2000
    2.4177    0.5027    2.3253 C   0  0  0  0  0
    3.8759    0.6647    2.7316 C   0  0  0  0  0
    4.8579    0.1949    1.6474 C   0  0  0  0  0
    4.7496    0.8953    0.3578 N   0  0  0  0  0
    5.6032    0.2896   -0.6824 C   0  0  0  0  0
    5.2253   -1.1406   -1.0965 C   0  0  0  0  0
    3.7992   -1.2670   -1.6092 C   0  0  0  0  0
    4.9841    2.3513    0.4480 C   0  0  0  0  0
    6.3636    2.7786    0.9747 C   0  0  0  0  0
    6.5246    4.3010    0.9447 C   0  0  0  0  0
    7.8903    4.7575    1.4623 C   0  0  0  0  0
    9.0090    4.2026    0.7272 N   0  0  0  0  0
    9.3126    4.6104   -0.5559 C   0  0  0  0  0
    8.6623    5.4459   -1.1731 O   0  0  0  0  0
   10.4826    3.9546   -1.1967 C   0  0  0  0  0
   10.4960    3.8024   -2.5812 C   0  0  0  0  0
   11.6047    3.2262   -3.2216 C   0  0  0  0  0
   12.7448    2.7901   -2.5137 C   0  0  0  0  0
   12.6928    2.9610   -1.1133 C   0  0  0  0  0
   11.5889    3.5351   -0.4616 C   0  0  0  0  0
   13.9436    2.2057   -3.2045 C   0  0  0  0  0
   15.1119    1.8367   -2.5036 C   0  0  0  0  0
   16.2388    1.3042   -3.1465 C   0  0  0  0  0
   16.2379    1.1230   -4.5217 C   0  0  0  0  0
   15.1091    1.4708   -5.2495 C   0  0  0  0  0
   13.9841    1.9995   -4.5999 C   0  0  0  0  0
    2.2108   -0.5236    2.0048 H   0  0  0  0  0
    2.1527    1.1793    1.5073 H   0  0  0  0  0
    1.7635    0.7293    3.1733 H   0  0  0  0  0
    4.0521    0.0647    3.6330 H   0  0  0  0  0
    4.0684    1.7046    3.0166 H   0  0  0  0  0
    4.6552   -0.8719    1.5027 H   0  0  0  0  0
    5.8802    0.2564    2.0393 H   0  0  0  0  0
    6.6532    0.2849   -0.3656 H   0  0  0  0  0
    5.5515    0.9055   -1.5903 H   0  0  0  0  0
    5.3830   -1.8409   -0.2696 H   0  0  0  0  0
    5.9101   -1.4576   -1.8929 H   0  0  0  0  0
    3.0689   -1.0004   -0.8395 H   0  0  0  0  0
    3.6023   -2.3001   -1.9137 H   0  0  0  0  0
    3.6381   -0.6225   -2.4790 H   0  0  0  0  0
    4.2031    2.8074    1.0681 H   0  0  0  0  0
    4.8271    2.7905   -0.5465 H   0  0  0  0  0
    7.1507    2.3254    0.3637 H   0  0  0  0  0
    6.5048    2.4295    2.0035 H   0  0  0  0  0
    5.7452    4.7627    1.5631 H   0  0  0  0  0
    6.3727    4.6631   -0.0787 H   0  0  0  0  0
    8.0182    4.4655    2.5103 H   0  0  0  0  0
    7.9544    5.8500    1.4068 H   0  0  0  0  0
    9.4717    3.3895    1.1090 H   0  0  0  0  0
    9.6479    4.1383   -3.1754 H   0  0  0  0  0
   11.5439    3.1478   -4.3031 H   0  0  0  0  0
   13.5231    2.6673   -0.4781 H   0  0  0  0  0
   11.6354    3.6805    0.6139 H   0  0  0  0  0
   15.1901    1.9566   -1.4279 H   0  0  0  0  0
   17.1168    1.0367   -2.5639 H   0  0  0  0  0
   17.1111    0.7150   -5.0229 H   0  0  0  0  0
   15.0957    1.3355   -6.3282 H   0  0  0  0  0
   13.1387    2.2467   -5.2343 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  8  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 38  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 41  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 45  1  0  0  0
 10 46  1  0  0  0
 11 12  1  0  0  0
 11 47  1  0  0  0
 11 48  1  0  0  0
 12 13  1  0  0  0
 12 49  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
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 17 18  2  0  0  0
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 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 54  1  0  0  0
 23 24  2  0  0  0
 23 55  1  0  0  0
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 25 26  2  0  0  0
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 26 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL484204

>  <PubChem CID>
25139332

>  <Formula>
C23H32N2O

>  <Molecular Weight>
352.522000

>  <IUPAC Name>
N-[4-(dipropylamino)butyl]-4-phenylbenzamide

>  <XlogP>
5.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

>  <Isomeric SMILES>
CCCN(CCC)CCCCNC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C23H32N2O/c1-3-17-25(18-4-2)19-9-8-16-24-23(26)22-14-12-21(13-15-22)20-10-6-5-7-11-20/h5-7,10-15H,3-4,8-9,16-19H2,1-2H3,(H,24,26)

>  <InChI Key>
HXCWGVSINJYYSW-UHFFFAOYSA-N

