
 CHEMBL237052

 59 61  0  0  0  0  0  0  0  0999 V2000
    1.9170    0.9897   -6.1934 C   0  0  0  0  0
    3.0668    1.5233   -5.6146 C   0  0  0  0  0
    3.4044    1.1967   -4.3001 C   0  0  0  0  0
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    3.8807   -1.2280   -2.0505 C   0  0  0  0  0
    4.1968   -1.5585   -0.5908 C   0  0  0  0  0
    5.2919   -2.5175   -0.4324 N   0  0  0  0  0
    4.9394   -3.9328   -0.2969 C   0  0  0  0  0
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    4.4184   -6.9032   -2.7470 C   0  0  0  0  0
    4.0013   -8.3559   -2.5187 C   0  0  0  0  0
    3.9328   -9.0721   -3.7866 N   0  0  0  0  0
    6.6479   -2.1798   -0.4492 C   0  0  0  0  0
    7.5283   -3.0465   -0.3975 O   0  0  0  0  0
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    6.3726    0.6821    1.5349 C   0  0  0  0  0
    6.9663    1.0477    2.7128 N   0  0  0  0  0
    8.2476    0.5566    2.7726 C   0  0  0  0  0
    9.2228    0.7045    3.7662 C   0  0  0  0  0
   10.4605    0.0912    3.5547 C   0  0  0  0  0
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    9.7160   -0.7907    1.4200 C   0  0  0  0  0
    8.4614   -0.1733    1.6028 C   0  0  0  0  0
    1.6539    1.2459   -7.2160 H   0  0  0  0  0
    3.7009    2.1952   -6.1871 H   0  0  0  0  0
    4.3053    1.6219   -3.8634 H   0  0  0  0  0
    0.7984   -0.8783   -3.5873 H   0  0  0  0  0
    0.2104   -0.2925   -5.9121 H   0  0  0  0  0
    2.0340   -0.2045   -1.5587 H   0  0  0  0  0
    3.4250    0.8545   -1.6568 H   0  0  0  0  0
    4.8026   -1.0309   -2.6108 H   0  0  0  0  0
    3.4087   -2.0915   -2.5325 H   0  0  0  0  0
    3.3032   -1.9517   -0.0922 H   0  0  0  0  0
    4.4569   -0.6449   -0.0542 H   0  0  0  0  0
    3.9771   -4.0061    0.2229 H   0  0  0  0  0
    5.6773   -4.4164    0.3550 H   0  0  0  0  0
    5.8618   -4.6165   -2.1327 H   0  0  0  0  0
    4.1610   -4.2005   -2.2996 H   0  0  0  0  0
    3.5257   -6.1900   -0.9159 H   0  0  0  0  0
    5.2292   -6.6250   -0.7643 H   0  0  0  0  0
    5.3944   -6.8700   -3.2470 H   0  0  0  0  0
    3.6976   -6.4092   -3.4107 H   0  0  0  0  0
    3.0225   -8.3959   -2.0277 H   0  0  0  0  0
    4.7226   -8.8568   -1.8641 H   0  0  0  0  0
    3.2414   -8.6343   -4.3938 H   0  0  0  0  0
    3.6082  -10.0238   -3.6208 H   0  0  0  0  0
    6.3151   -0.1257   -1.1046 H   0  0  0  0  0
    7.9679   -0.6526   -1.1184 H   0  0  0  0  0
    5.3666    1.0091    1.3124 H   0  0  0  0  0
    6.5375    1.6124    3.4326 H   0  0  0  0  0
    9.0327    1.2759    4.6686 H   0  0  0  0  0
   11.2414    0.1897    4.3049 H   0  0  0  0  0
   11.6736   -1.1206    2.2551 H   0  0  0  0  0
    9.9151   -1.3780    0.5277 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  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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 27 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL237052

>  <PubChem CID>
44434637

>  <Formula>
C24H31N3O

>  <Molecular Weight>
377.532000

>  <IUPAC Name>
N-(5-aminopentyl)-2-(1H-indol-3-yl)-N-(3-phenylpropyl)acetamide

>  <XlogP>
3.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)CCCN(CCCCCN)C(=O)CC2=CNC3=CC=CC=C32

>  <Isomeric SMILES>
C1=CC=C(C=C1)CCCN(CCCCCN)C(=O)CC2=CNC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C24H31N3O/c25-15-7-2-8-16-27(17-9-12-20-10-3-1-4-11-20)24(28)18-21-19-26-23-14-6-5-13-22(21)23/h1,3-6,10-11,13-14,19,26H,2,7-9,12,15-18,25H2

>  <InChI Key>
BFBYTEMHUBFYBD-UHFFFAOYSA-N

