
 CHEMBL393359

 62 65  0  0  0  0  0  0  0  0999 V2000
   -1.4155   -5.3007   -5.2354 C   0  0  0  0  0
   -2.1582   -6.0534   -4.3309 C   0  0  0  0  0
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   -3.0669   -1.5390   -0.1154 C   0  0  0  0  0
   -4.3144   -0.7808   -0.2732 N   0  0  0  0  0
   -4.2067    0.6330   -0.6445 C   0  0  0  0  0
   -4.5769    0.9276   -2.1017 C   0  0  0  0  0
   -4.5397    2.4350   -2.3697 C   0  0  0  0  0
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   -4.8322    4.2734   -4.0683 C   0  0  0  0  0
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   -5.5958   -1.2765   -0.0544 C   0  0  0  0  0
   -6.5975   -0.5690   -0.1948 O   0  0  0  0  0
   -5.7774   -2.6911    0.4520 C   0  0  0  0  0
   -5.9793   -2.6644    1.9624 C   0  0  0  0  0
   -6.0244   -4.0406    2.5468 C   0  0  0  0  0
   -7.1362   -4.8562    2.6296 C   0  0  0  0  0
   -6.7656   -6.0309    3.2256 N   0  0  0  0  0
   -5.4261   -6.0053    3.5355 C   0  0  0  0  0
   -4.6238   -6.9758    4.1476 C   0  0  0  0  0
   -3.2741   -6.6707    4.3446 C   0  0  0  0  0
   -2.7506   -5.4438    3.9449 C   0  0  0  0  0
   -3.5673   -4.4850    3.3343 C   0  0  0  0  0
   -4.9329   -4.7671    3.1230 C   0  0  0  0  0
   -1.0528   -5.7568   -6.1528 H   0  0  0  0  0
   -2.3780   -7.0970   -4.5399 H   0  0  0  0  0
   -3.2035   -6.0699   -2.4593 H   0  0  0  0  0
   -3.3709   -4.1266   -0.9779 H   0  0  0  0  0
   -1.5723   -0.3798   -2.1118 H   0  0  0  0  0
   -0.7512   -1.4018   -4.1811 H   0  0  0  0  0
   -0.5557   -3.3880   -5.6842 H   0  0  0  0  0
   -2.2991   -0.8700    0.2938 H   0  0  0  0  0
   -3.1941   -2.3101    0.6504 H   0  0  0  0  0
   -3.1915    0.9875   -0.4330 H   0  0  0  0  0
   -4.8735    1.2008    0.0175 H   0  0  0  0  0
   -5.5768    0.5417   -2.3304 H   0  0  0  0  0
   -3.8853    0.4153   -2.7774 H   0  0  0  0  0
   -3.5469    2.8279   -2.1181 H   0  0  0  0  0
   -5.2611    2.9389   -1.7144 H   0  0  0  0  0
   -5.8520    2.3663   -4.0847 H   0  0  0  0  0
   -4.1343    2.2676   -4.4830 H   0  0  0  0  0
   -3.8460    4.6777   -3.8146 H   0  0  0  0  0
   -5.5699    4.7706   -3.4291 H   0  0  0  0  0
   -4.4375    4.1401   -6.0674 H   0  0  0  0  0
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   -4.9507   -3.3408    0.1775 H   0  0  0  0  0
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   -5.1810   -2.0855    2.4431 H   0  0  0  0  0
   -8.1596   -4.6972    2.3157 H   0  0  0  0  0
   -7.3827   -6.8081    3.4156 H   0  0  0  0  0
   -5.0293   -7.9315    4.4631 H   0  0  0  0  0
   -2.6248   -7.4023    4.8201 H   0  0  0  0  0
   -1.6988   -5.2256    4.1114 H   0  0  0  0  0
   -3.1484   -3.5299    3.0345 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 34  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 19  1  0  0  0
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 13 14  1  0  0  0
 13 41  1  0  0  0
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 14 15  1  0  0  0
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 19 21  1  0  0  0
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 22 23  1  0  0  0
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 23 24  2  0  0  0
 24 25  1  0  0  0
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 25 26  1  0  0  0
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 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
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 28 29  2  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 29 61  1  0  0  0
 30 31  2  0  0  0
 30 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL393359

>  <PubChem CID>
10158674

>  <Formula>
C27H31N3O

>  <Molecular Weight>
413.565000

>  <IUPAC Name>
N-(5-aminopentyl)-3-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)propanamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)CN(CCCCCN)C(=O)CCC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)CN(CCCCCN)C(=O)CCC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C27H31N3O/c28-16-6-1-7-17-30(20-21-12-13-22-8-2-3-9-23(22)18-21)27(31)15-14-24-19-29-26-11-5-4-10-25(24)26/h2-5,8-13,18-19,29H,1,6-7,14-17,20,28H2

>  <InChI Key>
CGIXVWNBAIUFQT-UHFFFAOYSA-N

