
 CHEMBL63363

 46 47  0  0  0  0  0  0  0  0999 V2000
    0.9767    1.2762   -0.5027 C   0  0  0  0  0
    2.4283    0.9480   -0.6846 C   0  0  0  0  0
    3.1868    1.5887   -1.6675 C   0  0  0  0  0
    4.5313    1.2529   -1.8543 C   0  0  0  0  0
    5.1360    0.2582   -1.0764 C   0  0  0  0  0
    4.3745   -0.3893   -0.1041 C   0  0  0  0  0
    3.0303   -0.0497    0.0880 C   0  0  0  0  0
    6.4925   -0.0253   -1.3363 N   0  0  0  0  0
    7.2650   -1.0296   -0.7781 C   0  0  0  0  0
    6.9059   -1.8468    0.0628 O   0  0  0  0  0
    8.6897   -1.0042   -1.3060 C   0  0  0  0  0
    9.3816   -2.3594   -1.1616 C   0  0  0  0  0
   10.7999   -2.3034   -1.7292 C   0  0  0  0  0
   11.4722   -3.6788   -1.7107 C   0  0  0  0  0
   12.8656   -3.6396   -2.1705 N   0  0  0  0  0
   12.9787   -3.3044   -3.5950 C   0  0  0  0  0
   14.4403   -3.3758   -4.0632 C   0  0  0  0  0
   14.5793   -2.9328   -5.4793 C   0  0  0  0  0
   14.0848   -3.4411   -6.6617 C   0  0  0  0  0
   14.4683   -2.6679   -7.7256 N   0  0  0  0  0
   15.1961   -1.7048   -7.2104 C   0  0  0  0  0
   15.2948   -1.8223   -5.8536 N   0  0  0  0  0
    0.7698    2.3117   -0.7923 H   0  0  0  0  0
    0.6816    1.1669    0.5462 H   0  0  0  0  0
    0.3630    0.6089   -1.1157 H   0  0  0  0  0
    2.7371    2.3535   -2.2966 H   0  0  0  0  0
    5.0910    1.7732   -2.6268 H   0  0  0  0  0
    4.7948   -1.1640    0.5293 H   0  0  0  0  0
    2.4593   -0.5756    0.8503 H   0  0  0  0  0
    6.9315    0.5461   -2.0466 H   0  0  0  0  0
    9.2382   -0.2380   -0.7457 H   0  0  0  0  0
    8.6802   -0.7121   -2.3627 H   0  0  0  0  0
    8.7982   -3.1233   -1.6911 H   0  0  0  0  0
    9.4151   -2.6603   -0.1074 H   0  0  0  0  0
   11.3971   -1.5901   -1.1476 H   0  0  0  0  0
   10.7457   -1.9221   -2.7547 H   0  0  0  0  0
   10.8964   -4.3973   -2.3067 H   0  0  0  0  0
   11.4731   -4.0560   -0.6810 H   0  0  0  0  0
   13.2790   -4.5600   -2.0135 H   0  0  0  0  0
   12.6109   -2.2885   -3.7760 H   0  0  0  0  0
   12.3683   -3.9926   -4.1931 H   0  0  0  0  0
   14.8154   -4.4023   -3.9688 H   0  0  0  0  0
   15.0653   -2.7476   -3.4153 H   0  0  0  0  0
   13.4649   -4.3175   -6.8025 H   0  0  0  0  0
   15.6714   -0.9046   -7.7618 H   0  0  0  0  0
   15.8025   -1.1981   -5.2415 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
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 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
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 14 15  1  0  0  0
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 14 38  1  0  0  0
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 16 17  1  0  0  0
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 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
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 20 21  2  0  0  0
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 22 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL63363

>  <PubChem CID>
13974559

>  <Formula>
C17H24N4O

>  <Molecular Weight>
300.406000

>  <IUPAC Name>
5-[2-(1H-imidazol-5-yl)ethylamino]-N-(4-methylphenyl)pentanamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=C(C=C1)NC(=O)CCCCNCCC2=CN=CN2

>  <Isomeric SMILES>
CC1=CC=C(C=C1)NC(=O)CCCCNCCC2=CN=CN2

>  <InChI Std. ID>
InChI=1S/C17H24N4O/c1-14-5-7-15(8-6-14)21-17(22)4-2-3-10-18-11-9-16-12-19-13-20-16/h5-8,12-13,18H,2-4,9-11H2,1H3,(H,19,20)(H,21,22)

>  <InChI Key>
NVMJQHXXGAZVAX-UHFFFAOYSA-N

