
 CHEMBL3600450

 61 63  0  0  0  0  0  0  0  0999 V2000
    5.1294    6.8054   -4.7011 C   0  0  0  0  0
    4.3198    5.7307   -3.9789 C   0  0  0  0  0
    3.3796    5.0180   -4.9519 C   0  0  0  0  0
    5.2223    4.7398   -3.3076 C   0  0  0  0  0
    6.1114    3.9567   -3.8829 N   0  0  0  0  0
    6.6415    3.1929   -2.8769 C   0  0  0  0  0
    6.0686    3.5023   -1.6622 C   0  0  0  0  0
    5.1943    4.5235   -1.9513 N   0  0  0  0  0
    6.2711    2.9106   -0.2983 C   0  0  0  0  0
    6.1618    3.9127    0.8640 C   0  0  0  0  0
    6.2742    3.2006    2.2379 C   0  0  0  0  0
    6.6142    2.0169    2.3332 O   0  0  0  0  0
    5.9798    3.9367    3.3722 N   0  0  0  0  0
    5.4235    5.2799    3.4280 C   0  0  0  0  0
    5.4483    5.6501    4.9005 C   0  0  0  0  0
    5.2201    4.3106    5.5864 C   0  0  0  0  0
    5.9757    3.3160    4.7000 C   0  0  0  0  0
    7.4185    3.1036    5.1944 C   0  0  0  0  0
    8.1265    3.9825    5.6809 O   0  0  0  0  0
    7.9172    1.8509    4.9644 N   0  0  0  0  0
    7.1942    4.9363    0.7530 N   0  0  0  0  0
    6.9326    6.2579    0.4832 C   0  0  0  0  0
    5.8000    6.6662    0.2317 O   0  0  0  0  0
    8.1925    7.1568    0.4858 C   0  0  0  0  0
    7.8975    8.5739    0.9900 C   0  0  0  0  0
    7.7455    8.6294    2.5079 C   0  0  0  0  0
    8.9397    7.9771    3.1928 C   0  0  0  0  0
    9.1858    6.5679    2.6669 C   0  0  0  0  0
    9.3302    6.5175    1.2056 N   0  0  0  0  0
    5.7916    7.3315   -4.0045 H   0  0  0  0  0
    4.4659    7.5475   -5.1583 H   0  0  0  0  0
    5.7525    6.3772   -5.4941 H   0  0  0  0  0
    3.7028    6.2274   -3.2185 H   0  0  0  0  0
    3.9342    4.5098   -5.7492 H   0  0  0  0  0
    2.6913    5.7295   -5.4206 H   0  0  0  0  0
    2.7791    4.2618   -4.4333 H   0  0  0  0  0
    7.3988    2.4471   -3.0840 H   0  0  0  0  0
    4.6398    5.0528   -1.2904 H   0  0  0  0  0
    7.2584    2.4289   -0.2736 H   0  0  0  0  0
    5.5323    2.1102   -0.1630 H   0  0  0  0  0
    5.1714    4.3816    0.8335 H   0  0  0  0  0
    4.4005    5.2406    3.0381 H   0  0  0  0  0
    6.0043    5.9816    2.8386 H   0  0  0  0  0
    6.4326    6.0499    5.1717 H   0  0  0  0  0
    4.6956    6.3994    5.1586 H   0  0  0  0  0
    5.5516    4.3145    6.6291 H   0  0  0  0  0
    4.1486    4.0771    5.5707 H   0  0  0  0  0
    5.4554    2.3518    4.6658 H   0  0  0  0  0
    7.5361    1.3313    4.1762 H   0  0  0  0  0
    8.9030    1.7282    5.1468 H   0  0  0  0  0
    8.1687    4.7112    0.9503 H   0  0  0  0  0
    8.4816    7.2244   -0.5714 H   0  0  0  0  0
    6.9906    8.9745    0.5222 H   0  0  0  0  0
    8.7224    9.2357    0.6956 H   0  0  0  0  0
    7.6533    9.6708    2.8355 H   0  0  0  0  0
    6.8226    8.1226    2.8090 H   0  0  0  0  0
    9.8342    8.5915    3.0314 H   0  0  0  0  0
    8.7690    7.9402    4.2749 H   0  0  0  0  0
   10.1035    6.1710    3.1157 H   0  0  0  0  0
    8.3827    5.9006    2.9939 H   0  0  0  0  0
   10.1743    7.0392    0.9594 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 21  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
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 16 46  1  0  0  0
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 17 18  1  0  0  0
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 20 50  1  0  0  0
 21 22  1  0  0  0
 21 51  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 26 56  1  0  0  0
 27 28  1  0  0  0
 27 57  1  0  0  0
 27 58  1  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 29 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3600450

>  <PubChem CID>
122184250

>  <Formula>
C20H32N6O3

>  <Molecular Weight>
404.515000

>  <IUPAC Name>
(2R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]piperidine-2-carboxamide

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=NC=C(N1)CC(C(=O)N2CCCC2C(=O)N)NC(=O)C3CCCCN3

>  <Isomeric SMILES>
CC(C)C1=NC=C(N1)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@H]3CCCCN3

>  <InChI Std. ID>
InChI=1S/C20H32N6O3/c1-12(2)18-23-11-13(24-18)10-15(25-19(28)14-6-3-4-8-22-14)20(29)26-9-5-7-16(26)17(21)27/h11-12,14-16,22H,3-10H2,1-2H3,(H2,21,27)(H,23,24)(H,25,28)/t14-,15+,16+/m1/s1

>  <InChI Key>
YQPFCFVQSVRXQH-PMPSAXMXSA-N

