
 CHEMBL577737

 64 67  0  0  0  0  0  0  0  0999 V2000
    8.1769    3.4970    3.5761 C   0  0  0  0  0
    7.6184    2.6179    2.4233 C   0  0  0  0  0
    8.8402    1.9486    1.7731 C   0  0  0  0  0
    6.6848    1.5941    3.0882 C   0  0  0  0  0
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    6.9300    4.7781    1.5989 O   0  0  0  0  0
    6.0972    3.0615    0.3748 N   0  0  0  0  0
    5.4460    4.0378   -0.5167 C   0  0  0  0  0
    6.2213    4.3225   -1.7851 C   0  0  0  0  0
    7.1862    5.3396   -1.8183 C   0  0  0  0  0
    7.8803    5.6235   -2.9976 C   0  0  0  0  0
    7.6319    4.8832   -4.1519 C   0  0  0  0  0
    6.6849    3.8622   -4.1304 C   0  0  0  0  0
    5.9783    3.5892   -2.9572 C   0  0  0  0  0
    5.9539    1.6556   -0.0167 C   0  0  0  0  0
    4.6447    0.9389    0.3437 C   0  0  0  0  0
    4.4691   -0.2025   -0.0806 O   0  0  0  0  0
    3.7811    1.6390    1.1669 N   0  0  0  0  0
    2.5262    1.1933    1.6516 C   0  0  0  0  0
    1.7269    2.1121    2.3508 C   0  0  0  0  0
    0.4637    1.7189    2.7890 C   0  0  0  0  0
   -0.0122    0.4307    2.5447 C   0  0  0  0  0
   -1.4274    0.2540    3.0019 C   0  0  0  0  0
   -1.6453    1.5107    3.8688 C   0  0  0  0  0
   -0.5723    2.5557    3.4830 C   0  0  0  0  0
   -3.0580    2.0650    3.6487 C   0  0  0  0  0
   -3.5230    2.4673    2.5921 O   0  0  0  0  0
   -3.7407    2.0200    4.8219 N   0  0  0  0  0
   -2.9832    1.4952    5.8159 C   0  0  0  0  0
   -3.3716    1.2862    6.9518 O   0  0  0  0  0
   -1.7215    1.2359    5.3056 N   0  0  0  0  0
   -0.6797    0.5676    6.0550 C   0  0  0  0  0
    0.7708   -0.4977    1.8876 C   0  0  0  0  0
    2.0417   -0.1114    1.4488 C   0  0  0  0  0
    7.3728    4.0368    4.0897 H   0  0  0  0  0
    8.8903    4.2417    3.2036 H   0  0  0  0  0
    8.7007    2.8893    4.3237 H   0  0  0  0  0
    9.5680    2.7007    1.4466 H   0  0  0  0  0
    8.6079    1.3518    0.8914 H   0  0  0  0  0
    9.3452    1.2849    2.4851 H   0  0  0  0  0
    5.7323    2.0576    3.3691 H   0  0  0  0  0
    7.1311    1.1802    4.0002 H   0  0  0  0  0
    6.4667    0.7358    2.4513 H   0  0  0  0  0
    5.2693    4.9828    0.0112 H   0  0  0  0  0
    4.4472    3.6623   -0.7712 H   0  0  0  0  0
    7.3936    5.9277   -0.9250 H   0  0  0  0  0
    8.6137    6.4257   -3.0161 H   0  0  0  0  0
    8.1738    5.1033   -5.0680 H   0  0  0  0  0
    6.4911    3.2824   -5.0292 H   0  0  0  0  0
    5.2311    2.7988   -2.9705 H   0  0  0  0  0
    6.7488    1.0503    0.4046 H   0  0  0  0  0
    6.0698    1.5846   -1.1014 H   0  0  0  0  0
    4.0572    2.5850    1.4047 H   0  0  0  0  0
    2.0637    3.1293    2.5273 H   0  0  0  0  0
   -1.5493   -0.6771    3.5638 H   0  0  0  0  0
   -2.0864    0.2304    2.1267 H   0  0  0  0  0
   -0.1472    3.0564    4.3589 H   0  0  0  0  0
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   -4.7014    2.2951    4.9381 H   0  0  0  0  0
    0.2650    1.0973    5.9130 H   0  0  0  0  0
   -0.5857   -0.4628    5.7013 H   0  0  0  0  0
   -0.9271    0.5490    7.1198 H   0  0  0  0  0
    0.4101   -1.5034    1.6925 H   0  0  0  0  0
    2.6293   -0.8654    0.9355 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 15  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 11 12  2  0  0  0
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 15 16  1  0  0  0
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 22 23  1  0  0  0
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 24 31  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
 25 57  1  0  0  0
 25 58  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 32 60  1  0  0  0
 32 61  1  0  0  0
 32 62  1  0  0  0
 33 34  2  0  0  0
 33 63  1  0  0  0
 34 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL577737

>  <PubChem CID>
45485621

>  <Formula>
C26H30N4O4

>  <Molecular Weight>
462.550000

>  <IUPAC Name>
N-benzyl-2,2-dimethyl-N-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]propanamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)C(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC3=C(CC4(C3)C(=O)NC(=O)N4C)C=C2

>  <Isomeric SMILES>
CC(C)(C)C(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC3=C(C[C@@]4(C3)C(=O)NC(=O)N4C)C=C2

>  <InChI Std. ID>
InChI=1S/C26H30N4O4/c1-25(2,3)23(33)30(15-17-8-6-5-7-9-17)16-21(31)27-20-11-10-18-13-26(14-19(18)12-20)22(32)28-24(34)29(26)4/h5-12H,13-16H2,1-4H3,(H,27,31)(H,28,32,34)/t26-/m1/s1

>  <InChI Key>
CRXOAPVFOGTLOS-AREMUKBSSA-N

