
 CHEMBL471704

 53 57  0  0  0  0  0  0  0  0999 V2000
    1.1530    0.7220    0.4721 C   0  0  0  0  0
    2.5309    1.1083    0.6950 N   0  0  0  0  0
    3.0465    1.4387    1.9352 C   0  0  0  0  0
    2.4337    1.5256    2.9866 O   0  0  0  0  0
    4.3759    1.6657    1.7914 N   0  0  0  0  0
    4.7692    1.5042    0.4997 C   0  0  0  0  0
    5.9037    1.7050    0.0891 O   0  0  0  0  0
    3.5887    0.9704   -0.3136 C   0  0  0  0  0
    3.8592   -0.4978   -0.7085 C   0  0  0  0  0
    3.1652   -0.5811   -2.0328 C   0  0  0  0  0
    2.8902    0.6866   -2.5502 C   0  0  0  0  0
    3.3536    1.7654   -1.6137 C   0  0  0  0  0
    2.2852    0.8338   -3.7916 C   0  0  0  0  0
    1.9203   -0.3151   -4.5102 C   0  0  0  0  0
    2.2022   -1.5837   -3.9746 C   0  0  0  0  0
    2.8342   -1.7234   -2.7355 C   0  0  0  0  0
    1.3021   -0.1279   -5.7637 N   0  0  0  0  0
    0.7277   -1.1001   -6.5657 C   0  0  0  0  0
    0.5068   -2.2652   -6.2381 O   0  0  0  0  0
    0.1974   -0.5749   -7.8986 C   0  0  0  0  0
    1.0928    0.3526   -8.5431 N   0  0  0  0  0
    2.2030    0.0063   -9.3255 C   0  0  0  0  0
    2.7560    1.1906   -9.8134 C   0  0  0  0  0
    3.8501    1.2123  -10.6540 C   0  0  0  0  0
    4.4238   -0.0254  -10.9623 C   0  0  0  0  0
    3.8788   -1.2274  -10.4519 C   0  0  0  0  0
    2.7469   -1.2217   -9.6284 C   0  0  0  0  0
    4.2897    2.4291  -11.0829 O   0  0  0  0  0
    4.9368    2.4245  -12.3515 C   0  0  0  0  0
    2.0084    2.2558   -9.3119 N   0  0  0  0  0
    0.9848    1.7523   -8.5043 C   0  0  0  0  0
    0.1823    2.4023   -7.8567 O   0  0  0  0  0
    0.7552    1.2733   -0.3831 H   0  0  0  0  0
    0.5477    0.9467    1.3545 H   0  0  0  0  0
    1.1061   -0.3523    0.2780 H   0  0  0  0  0
    4.9717    1.9755    2.5395 H   0  0  0  0  0
    4.9266   -0.7038   -0.8459 H   0  0  0  0  0
    3.4411   -1.2115    0.0086 H   0  0  0  0  0
    4.2748    2.2133   -2.0017 H   0  0  0  0  0
    2.5930    2.5436   -1.4945 H   0  0  0  0  0
    2.0900    1.8274   -4.1842 H   0  0  0  0  0
    1.9550   -2.4930   -4.5141 H   0  0  0  0  0
    3.0544   -2.7116   -2.3437 H   0  0  0  0  0
    1.2216    0.8294   -6.0923 H   0  0  0  0  0
   -0.7594   -0.0780   -7.7042 H   0  0  0  0  0
    0.0158   -1.4191   -8.5724 H   0  0  0  0  0
    5.3123   -0.0939  -11.5835 H   0  0  0  0  0
    4.3542   -2.1748  -10.7013 H   0  0  0  0  0
    2.3387   -2.1482   -9.2413 H   0  0  0  0  0
    5.0590    3.4652  -12.6670 H   0  0  0  0  0
    4.3273    1.9160  -13.1071 H   0  0  0  0  0
    5.9333    1.9776  -12.2848 H   0  0  0  0  0
    2.1927    3.2311   -9.4861 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  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 36  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 37  1  0  0  0
  9 38  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 39  1  0  0  0
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 13 14  2  0  0  0
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 17 44  1  0  0  0
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 18 19  2  0  0  0
 20 21  1  0  0  0
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 20 46  1  0  0  0
 21 22  1  0  0  0
 21 31  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
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 23 24  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
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 31 32  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL471704

>  <PubChem CID>
44562937

>  <Formula>
C22H21N5O5

>  <Molecular Weight>
435.440000

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

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C(=O)NC(=O)C12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=C(C(=CC=C5)OC)NC4=O

>  <Isomeric SMILES>
CN1C(=O)NC(=O)[C@]12CC3=C(C2)C=C(C=C3)NC(=O)CN4C5=C(C(=CC=C5)OC)NC4=O

>  <InChI Std. ID>
InChI=1S/C22H21N5O5/c1-26-20(30)25-19(29)22(26)9-12-6-7-14(8-13(12)10-22)23-17(28)11-27-15-4-3-5-16(32-2)18(15)24-21(27)31/h3-8H,9-11H2,1-2H3,(H,23,28)(H,24,31)(H,25,29,30)/t22-/m1/s1

>  <InChI Key>
DGMFQFKGYGSDTA-JOCHJYFZSA-N

