
 CHEMBL3600449

 61 63  0  0  0  0  0  0  0  0999 V2000
    6.4728    4.0983   -4.5106 C   0  0  0  0  0
    6.6475    3.0259   -3.4472 C   0  0  0  0  0
    6.6722    1.6217   -4.0542 C   0  0  0  0  0
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    8.5718   -0.2384    2.4673 C   0  0  0  0  0
    7.5460   -0.5397    3.0873 O   0  0  0  0  0
    9.7039    0.1388    3.1589 N   0  0  0  0  0
   10.9399    0.6516    2.5879 C   0  0  0  0  0
   11.8604    0.8546    3.7805 C   0  0  0  0  0
   10.8927    1.2244    4.8970 C   0  0  0  0  0
    9.6860    0.3226    4.6195 C   0  0  0  0  0
    9.7573   -1.0018    5.4177 C   0  0  0  0  0
   10.3658   -1.1325    6.4763 O   0  0  0  0  0
    8.9464   -2.0096    4.9773 N   0  0  0  0  0
    9.6414   -1.1294    0.4151 N   0  0  0  0  0
   10.3401   -0.8877   -0.7530 C   0  0  0  0  0
   10.2828    0.1807   -1.3582 O   0  0  0  0  0
   11.1693   -2.1126   -1.2020 C   0  0  0  0  0
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   13.1313   -1.0688   -2.4502 C   0  0  0  0  0
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   12.0878   -2.5311   -0.1114 N   0  0  0  0  0
    6.4757    5.0908   -4.0487 H   0  0  0  0  0
    5.5229    3.9739   -5.0405 H   0  0  0  0  0
    7.2851    4.0617   -5.2427 H   0  0  0  0  0
    5.8284    3.1112   -2.7222 H   0  0  0  0  0
    7.5803    3.2181   -2.9034 H   0  0  0  0  0
    7.5045    1.5442   -4.7644 H   0  0  0  0  0
    5.7495    1.4561   -4.6237 H   0  0  0  0  0
    6.9193   -2.4917   -2.0513 H   0  0  0  0  0
    7.0761    1.6204   -1.2554 H   0  0  0  0  0
    7.0206   -1.7048    0.6528 H   0  0  0  0  0
    6.4302   -0.0644    0.8729 H   0  0  0  0  0
    8.8228    0.7883    0.5971 H   0  0  0  0  0
   10.7186    1.5979    2.0840 H   0  0  0  0  0
   11.3667   -0.0493    1.8742 H   0  0  0  0  0
   12.3702   -0.0849    4.0269 H   0  0  0  0  0
   12.6206    1.6193    3.6011 H   0  0  0  0  0
   11.3374    1.0988    5.8885 H   0  0  0  0  0
   10.6014    2.2768    4.7890 H   0  0  0  0  0
    8.7558    0.8234    4.9165 H   0  0  0  0  0
    8.1713   -1.7794    4.3571 H   0  0  0  0  0
    8.8427   -2.8125    5.5821 H   0  0  0  0  0
    9.8606   -1.9894    0.9099 H   0  0  0  0  0
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   12.8988   -0.6174    0.2966 H   0  0  0  0  0
   12.4502   -3.4552   -0.3509 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  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  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
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 11 13  1  0  0  0
 11 12  2  0  0  0
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 26 27  1  0  0  0
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 28 60  1  0  0  0
 29 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3600449

>  <PubChem CID>
122184249

>  <Formula>
C20H32N6O3

>  <Molecular Weight>
404.515000

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

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCC1=NC=C(N1)CC(C(=O)N2CCCC2C(=O)N)NC(=O)C3CCCCN3

>  <Isomeric SMILES>
CCCC1=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/c1-2-6-17-23-12-13(24-17)11-15(25-19(28)14-7-3-4-9-22-14)20(29)26-10-5-8-16(26)18(21)27/h12,14-16,22H,2-11H2,1H3,(H2,21,27)(H,23,24)(H,25,28)/t14-,15+,16+/m1/s1

>  <InChI Key>
YXHCUIOHWCJISX-PMPSAXMXSA-N

