
 CHEMBL221009

 49 53  0  0  0  0  0  0  0  0999 V2000
    1.1348    0.4946   -0.0400 C   0  0  0  0  0
    2.5656    0.5972    0.1553 N   0  0  0  0  0
    3.1667    0.7317    1.3930 C   0  0  0  0  0
    2.6095    0.8435    2.4709 O   0  0  0  0  0
    4.5102    0.7243    1.2134 N   0  0  0  0  0
    4.8338    0.5845   -0.0991 C   0  0  0  0  0
    5.9761    0.5831   -0.5339 O   0  0  0  0  0
    3.5495    0.3858   -0.9112 C   0  0  0  0  0
    3.5236   -1.0406   -1.5048 C   0  0  0  0  0
    2.9133   -0.8068   -2.8529 C   0  0  0  0  0
    2.8694    0.5496   -3.1719 C   0  0  0  0  0
    3.4511    1.3921   -2.0756 C   0  0  0  0  0
    2.3842    0.9773   -4.4008 C   0  0  0  0  0
    1.9414    0.0255   -5.3331 C   0  0  0  0  0
    1.9890   -1.3371   -4.9986 C   0  0  0  0  0
    2.4759   -1.7601   -3.7551 C   0  0  0  0  0
    1.4830    0.5155   -6.5734 N   0  0  0  0  0
    1.0449   -0.2035   -7.6706 C   0  0  0  0  0
    0.9017   -1.4245   -7.7181 O   0  0  0  0  0
    0.5661    0.6612   -8.8464 C   0  0  0  0  0
    1.2435    1.9266   -9.0032 N   0  0  0  0  0
    2.3279    2.1875   -9.8540 C   0  0  0  0  0
    3.0517    1.3603  -10.6832 C   0  0  0  0  0
    4.0865    1.9480  -11.4227 C   0  0  0  0  0
    4.3721    3.3269  -11.3152 C   0  0  0  0  0
    3.6275    4.1521  -10.4686 C   0  0  0  0  0
    2.6147    3.5519   -9.7578 C   0  0  0  0  0
    1.7190    4.1242   -8.8624 N   0  0  0  0  0
    0.8608    3.1298   -8.3888 C   0  0  0  0  0
   -0.0141    3.2731   -7.5527 O   0  0  0  0  0
    0.8275    1.1658   -0.8453 H   0  0  0  0  0
    0.6057    0.7704    0.8764 H   0  0  0  0  0
    0.8806   -0.5364   -0.2973 H   0  0  0  0  0
    5.1733    0.8438    1.9595 H   0  0  0  0  0
    4.5285   -1.4585   -1.6313 H   0  0  0  0  0
    2.9181   -1.7326   -0.9108 H   0  0  0  0  0
    4.4321    1.7654   -2.3889 H   0  0  0  0  0
    2.8002    2.2408   -1.8422 H   0  0  0  0  0
    2.3687    2.0381   -4.6332 H   0  0  0  0  0
    1.6551   -2.1024   -5.6926 H   0  0  0  0  0
    2.5165   -2.8193   -3.5187 H   0  0  0  0  0
    1.4593    1.5240   -6.6675 H   0  0  0  0  0
   -0.4998    0.8582   -8.6828 H   0  0  0  0  0
    0.6664    0.0810   -9.7698 H   0  0  0  0  0
    2.8435    0.3009  -10.7729 H   0  0  0  0  0
    4.6831    1.3328  -12.0940 H   0  0  0  0  0
    5.1839    3.7516  -11.9029 H   0  0  0  0  0
    3.8406    5.2106  -10.3839 H   0  0  0  0  0
    1.6712    5.0906   -8.5843 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  8  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 16  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 29  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 24 25  2  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 49  1  0  0  0
 29 30  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL221009

>  <PubChem CID>
44420228

>  <Formula>
C21H19N5O4

>  <Molecular Weight>
405.414000

>  <IUPAC Name>
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1C(=O)NC(=O)C12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5NC4=O

>  <Isomeric SMILES>
CN1C(=O)NC(=O)[C@]12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=CC=CC=C5NC4=O

>  <InChI Std. ID>
InChI=1S/C21H19N5O4/c1-25-19(29)24-18(28)21(25)9-12-6-7-14(8-13(12)10-21)22-17(27)11-26-16-5-3-2-4-15(16)23-20(26)30/h2-8H,9-11H2,1H3,(H,22,27)(H,23,30)(H,24,28,29)/t21-/m1/s1

>  <InChI Key>
CGVMXRNLZJBUJV-OAQYLSRUSA-N

