
 CHEMBL182624

 63 66  0  0  0  0  0  0  0  0999 V2000
    5.9939   -1.6565   -1.0336 C   0  0  0  0  0
    5.5350   -0.5262   -0.1247 C   0  0  0  0  0
    4.8792    0.5894   -0.9371 C   0  0  0  0  0
    4.4362    1.7444   -0.1466 N   0  0  0  0  0
    3.0388    1.7613    0.2867 C   0  0  0  0  0
    2.8709    1.1182    1.6367 C   0  0  0  0  0
    2.6153    1.9534    2.8672 C   0  0  0  0  0
    1.5145    1.1059    2.2958 C   0  0  0  0  0
    5.2659    2.7608    0.3431 C   0  0  0  0  0
    4.8170    3.6536    1.0636 O   0  0  0  0  0
    6.6840    2.6854    0.1073 C   0  0  0  0  0
    7.5008    2.7028   -1.0235 C   0  0  0  0  0
    8.8468    2.5835   -0.6728 N   0  0  0  0  0
    8.8616    2.6527    0.6297 C   0  0  0  0  0
    7.5935    2.7246    1.1103 N   0  0  0  0  0
    7.5280    2.8356    2.5473 C   0  0  0  0  0
    8.9968    2.5783    2.9257 C   0  0  0  0  0
    9.7430    2.6592    1.6544 N   0  0  0  0  0
   11.1402    2.5890    1.6182 C   0  0  0  0  0
   11.9627    3.3211    0.7366 C   0  0  0  0  0
   13.3673    3.1974    0.7692 C   0  0  0  0  0
   14.0061    2.3509    1.6824 C   0  0  0  0  0
   13.2054    1.6404    2.5771 C   0  0  0  0  0
   11.8100    1.7583    2.5408 C   0  0  0  0  0
   15.5166    2.2303    1.7732 C   0  0  0  0  0
   16.2139    2.1805    0.4104 C   0  0  0  0  0
   16.0903    3.3614    2.6298 C   0  0  0  0  0
   11.3046    4.6756   -0.4350 Br  0  0  0  0  0
    7.1428    2.8806   -2.4605 C   0  0  0  0  0
    7.7436    4.1463   -3.0548 C   0  0  0  0  0
    6.4563   -2.4543   -0.4450 H   0  0  0  0  0
    6.7295   -1.3008   -1.7634 H   0  0  0  0  0
    5.1483   -2.0853   -1.5813 H   0  0  0  0  0
    6.3925   -0.1439    0.4387 H   0  0  0  0  0
    4.8311   -0.9339    0.6052 H   0  0  0  0  0
    4.0153    0.1937   -1.4845 H   0  0  0  0  0
    5.5749    0.9296   -1.7024 H   0  0  0  0  0
    2.4268    1.2359   -0.4551 H   0  0  0  0  0
    2.6808    2.7974    0.3075 H   0  0  0  0  0
    3.4616    0.2216    1.7563 H   0  0  0  0  0
    2.5406    3.0305    2.7569 H   0  0  0  0  0
    3.0728    1.6385    3.7974 H   0  0  0  0  0
    1.2259    0.2136    2.8412 H   0  0  0  0  0
    0.6894    1.6095    1.8042 H   0  0  0  0  0
    7.2041    3.8496    2.7977 H   0  0  0  0  0
    6.8437    2.0843    2.9485 H   0  0  0  0  0
    9.0809    1.5798    3.3697 H   0  0  0  0  0
    9.3474    3.3192    3.6532 H   0  0  0  0  0
   13.9623    3.7999    0.0871 H   0  0  0  0  0
   13.6571    0.9832    3.3179 H   0  0  0  0  0
   11.2472    1.1561    3.2489 H   0  0  0  0  0
   15.7508    1.2804    2.2727 H   0  0  0  0  0
   16.1409    3.1325   -0.1255 H   0  0  0  0  0
   15.7815    1.3995   -0.2243 H   0  0  0  0  0
   17.2795    1.9585    0.5359 H   0  0  0  0  0
   15.8937    4.3436    2.1852 H   0  0  0  0  0
   17.1743    3.2523    2.7420 H   0  0  0  0  0
   15.6497    3.3574    3.6334 H   0  0  0  0  0
    6.0550    2.9307   -2.5796 H   0  0  0  0  0
    7.4931    2.0101   -3.0266 H   0  0  0  0  0
    7.4055    5.0352   -2.5110 H   0  0  0  0  0
    7.4444    4.2526   -4.1023 H   0  0  0  0  0
    8.8378    4.1248   -3.0164 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 15  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
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 17 18  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 28  1  0  0  0
 21 22  2  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 26 53  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 27 58  1  0  0  0
 29 30  1  0  0  0
 29 59  1  0  0  0
 29 60  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
 30 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL182624

>  <PubChem CID>
20780024

>  <Formula>
C24H33BrN4O

>  <Molecular Weight>
473.459000

>  <IUPAC Name>
1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-ethyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CC1CC1)C(=O)C2=C(N=C3N2CCN3C4=C(C=C(C=C4)C(C)C)Br)CC

>  <Isomeric SMILES>
CCCN(CC1CC1)C(=O)C2=C(N=C3N2CCN3C4=C(C=C(C=C4)C(C)C)Br)CC

>  <InChI Std. ID>
InChI=1S/C24H33BrN4O/c1-5-11-27(15-17-7-8-17)23(30)22-20(6-2)26-24-28(12-13-29(22)24)21-10-9-18(16(3)4)14-19(21)25/h9-10,14,16-17H,5-8,11-13,15H2,1-4H3

>  <InChI Key>
AHFGQJRGKXTSDO-UHFFFAOYSA-N

