
 CHEMBL393557

 65 67  0  0  0  0  0  0  0  0999 V2000
    2.8432    1.3534   -6.2942 C   0  0  0  0  0
    4.0426    1.7675   -5.7184 C   0  0  0  0  0
    4.3142    1.4754   -4.3809 C   0  0  0  0  0
    3.3848    0.7695   -3.6052 C   0  0  0  0  0
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    4.3848   -0.9146   -2.0287 C   0  0  0  0  0
    4.7073   -1.2197   -0.5659 C   0  0  0  0  0
    5.4635   -2.4641   -0.3970 N   0  0  0  0  0
    4.7021   -3.7098   -0.2606 C   0  0  0  0  0
    4.5792   -4.4941   -1.5694 C   0  0  0  0  0
    3.8030   -5.7958   -1.3588 C   0  0  0  0  0
    3.7076   -6.6037   -2.6547 C   0  0  0  0  0
    2.9117   -7.8909   -2.4457 C   0  0  0  0  0
    2.8421   -8.6512   -3.6874 N   0  0  0  0  0
    6.8497   -2.5685   -0.4745 C   0  0  0  0  0
    7.4301   -3.6561   -0.4144 O   0  0  0  0  0
    7.6742   -1.2986   -0.5696 C   0  0  0  0  0
    8.0115   -0.7888    0.8282 C   0  0  0  0  0
    8.9116    0.4450    0.7713 C   0  0  0  0  0
    9.3053    0.9129    2.1362 C   0  0  0  0  0
    8.6490    1.8571    2.9017 C   0  0  0  0  0
    9.3211    1.9932    4.0865 N   0  0  0  0  0
   10.4111    1.1556    4.1157 C   0  0  0  0  0
   11.3720    0.9594    5.1154 C   0  0  0  0  0
   12.3829    0.0260    4.8687 C   0  0  0  0  0
   12.4277   -0.6821    3.6704 C   0  0  0  0  0
   11.4581   -0.4742    2.6825 C   0  0  0  0  0
   10.4284    0.4637    2.9048 C   0  0  0  0  0
    2.6330    1.5811   -7.3357 H   0  0  0  0  0
    4.7684    2.3175   -6.3120 H   0  0  0  0  0
    5.2571    1.8025   -3.9485 H   0  0  0  0  0
    1.4520   -0.2069   -3.6177 H   0  0  0  0  0
    0.9816    0.3182   -5.9839 H   0  0  0  0  0
    2.7527    0.4429   -1.5881 H   0  0  0  0  0
    4.3099    1.2331   -1.7340 H   0  0  0  0  0
    5.3035   -0.9276   -2.6279 H   0  0  0  0  0
    3.7394   -1.6992   -2.4387 H   0  0  0  0  0
    3.7853   -1.2891    0.0228 H   0  0  0  0  0
    5.2775   -0.3920   -0.1338 H   0  0  0  0  0
    3.7103   -3.4790    0.1444 H   0  0  0  0  0
    5.2079   -4.3328    0.4872 H   0  0  0  0  0
    5.5744   -4.7220   -1.9684 H   0  0  0  0  0
    4.0718   -3.8882   -2.3267 H   0  0  0  0  0
    2.7949   -5.5653   -0.9931 H   0  0  0  0  0
    4.2972   -6.3990   -0.5874 H   0  0  0  0  0
    4.7179   -6.8453   -3.0088 H   0  0  0  0  0
    3.2307   -5.9929   -3.4316 H   0  0  0  0  0
    1.8965   -7.6568   -2.1068 H   0  0  0  0  0
    3.3867   -8.5075   -1.6751 H   0  0  0  0  0
    2.3849   -8.0950   -4.4084 H   0  0  0  0  0
    2.2614   -9.4768   -3.5480 H   0  0  0  0  0
    7.1724   -0.5350   -1.1685 H   0  0  0  0  0
    8.5940   -1.5463   -1.1144 H   0  0  0  0  0
    8.5079   -1.5868    1.3964 H   0  0  0  0  0
    7.0922   -0.5559    1.3797 H   0  0  0  0  0
    8.3932    1.2554    0.2434 H   0  0  0  0  0
    9.8142    0.2234    0.1886 H   0  0  0  0  0
    7.7598    2.4404    2.7045 H   0  0  0  0  0
    9.0592    2.6154    4.8376 H   0  0  0  0  0
   11.3386    1.5075    6.0510 H   0  0  0  0  0
   13.1443   -0.1506    5.6248 H   0  0  0  0  0
   13.2208   -1.4056    3.4986 H   0  0  0  0  0
   11.5009   -1.0355    1.7538 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 17  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
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 19 20  1  0  0  0
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 20 21  1  0  0  0
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 21 22  1  0  0  0
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 22 23  2  0  0  0
 23 24  1  0  0  0
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 24 25  1  0  0  0
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 25 30  1  0  0  0
 25 26  2  0  0  0
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 26 62  1  0  0  0
 27 28  2  0  0  0
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 28 29  1  0  0  0
 28 64  1  0  0  0
 29 30  2  0  0  0
 29 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL393557

>  <PubChem CID>
44434639

>  <Formula>
C26H35N3O

>  <Molecular Weight>
405.586000

>  <IUPAC Name>
N-(5-aminopentyl)-4-(1H-indol-3-yl)-N-(3-phenylpropyl)butanamide

>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCN(CCCCCN)C(=O)CCCC2=CNC3=CC=CC=C32

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCN(CCCCCN)C(=O)CCCC2=CNC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C26H35N3O/c27-18-7-2-8-19-29(20-10-13-22-11-3-1-4-12-22)26(30)17-9-14-23-21-28-25-16-6-5-15-24(23)25/h1,3-6,11-12,15-16,21,28H,2,7-10,13-14,17-20,27H2

>  <InChI Key>
CFZBOPYQAMXMKM-UHFFFAOYSA-N

