
 CHEMBL420867

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.1701    0.4179    0.6798 C   0  0  0  0  0
    2.5468    0.1500    0.3356 N   0  0  0  0  0
    3.5335    1.2134    0.1674 C   0  0  0  0  0
    4.6923    0.5192   -0.5657 C   0  0  0  0  0
    4.2159   -0.8238   -0.8058 N   0  0  0  0  0
    2.9267   -1.0130   -0.3343 C   0  0  0  0  0
    2.2416   -2.0107   -0.4915 O   0  0  0  0  0
    4.9391   -1.7860   -1.6078 C   0  0  0  0  0
    4.7744   -1.5432   -3.0875 C   0  0  0  0  0
    5.7127   -0.7849   -3.8019 C   0  0  0  0  0
    5.5433   -0.5559   -5.1686 C   0  0  0  0  0
    4.4361   -1.0818   -5.8334 C   0  0  0  0  0
    3.4939   -1.8305   -5.1320 C   0  0  0  0  0
    3.6583   -2.0552   -3.7649 C   0  0  0  0  0
    3.9639    1.8361    1.5032 C   0  0  0  0  0
    4.8436    3.0527    1.3239 C   0  0  0  0  0
    6.2426    2.9362    1.4059 C   0  0  0  0  0
    7.0593    4.0700    1.2107 C   0  0  0  0  0
    6.4454    5.2941    0.9545 C   0  0  0  0  0
    5.0568    5.4429    0.8727 C   0  0  0  0  0
    4.2698    4.3012    1.0562 C   0  0  0  0  0
    7.4452    6.2286    0.8200 N   0  0  0  0  0
    8.6703    5.6347    0.9642 C   0  0  0  0  0
    8.4748    4.2881    1.2037 C   0  0  0  0  0
    9.5426    3.2566    1.4056 C   0  0  0  0  0
    9.9676    2.6087    0.0820 C   0  0  0  0  0
   10.9994    1.5909    0.2848 N   0  0  0  0  0
    0.6221   -0.5182    0.8171 H   0  0  0  0  0
    0.7080    0.9801   -0.1369 H   0  0  0  0  0
    1.1271    1.0009    1.6019 H   0  0  0  0  0
    3.0887    1.9699   -0.4922 H   0  0  0  0  0
    4.9071    1.0158   -1.5167 H   0  0  0  0  0
    5.6121    0.4491    0.0216 H   0  0  0  0  0
    4.5810   -2.7940   -1.3657 H   0  0  0  0  0
    5.9966   -1.7499   -1.3212 H   0  0  0  0  0
    6.5793   -0.3662   -3.2963 H   0  0  0  0  0
    6.2745    0.0337   -5.7153 H   0  0  0  0  0
    4.3062   -0.9051   -6.8979 H   0  0  0  0  0
    2.6277   -2.2379   -5.6463 H   0  0  0  0  0
    2.9092   -2.6309   -3.2225 H   0  0  0  0  0
    4.4740    1.0907    2.1276 H   0  0  0  0  0
    3.0832    2.1379    2.0841 H   0  0  0  0  0
    6.7063    1.9772    1.6212 H   0  0  0  0  0
    4.5993    6.4065    0.6742 H   0  0  0  0  0
    3.1872    4.4012    0.9947 H   0  0  0  0  0
    7.2913    7.2101    0.6381 H   0  0  0  0  0
    9.5772    6.2189    0.8827 H   0  0  0  0  0
    9.1828    2.4875    2.0997 H   0  0  0  0  0
   10.4112    3.7260    1.8854 H   0  0  0  0  0
   10.3493    3.3719   -0.6066 H   0  0  0  0  0
    9.1034    2.1404   -0.4031 H   0  0  0  0  0
   11.8283    2.0229    0.6925 H   0  0  0  0  0
   11.2895    1.2250   -0.6216 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 24  1  0  0  0
 18 19  2  0  0  0
 19 22  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
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 26 51  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL420867

>  <PubChem CID>
19752537

>  <Formula>
C22H26N4O

>  <Molecular Weight>
362.477000

>  <IUPAC Name>
4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzyl-3-methylimidazolidin-2-one

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1C(CN(C1=O)CC2=CC=CC=C2)CC3=CC4=C(C=C3)NC=C4CCN

>  <Isomeric SMILES>
CN1C(CN(C1=O)CC2=CC=CC=C2)CC3=CC4=C(C=C3)NC=C4CCN

>  <InChI Std. ID>
InChI=1S/C22H26N4O/c1-25-19(15-26(22(25)27)14-16-5-3-2-4-6-16)11-17-7-8-21-20(12-17)18(9-10-23)13-24-21/h2-8,12-13,19,24H,9-11,14-15,23H2,1H3

>  <InChI Key>
AGVADLPAQQHKAL-UHFFFAOYSA-N

