
 CHEMBL571823

 64 67  0  0  0  0  0  0  0  0999 V2000
   11.5747   -0.7169   -1.3531 C   0  0  0  0  0
   11.6045    0.7782   -1.0081 C   0  0  0  0  0
   12.3905    0.8869    0.3298 C   0  0  0  0  0
   12.3901    1.6015   -2.0395 C   0  0  0  0  0
   10.1886    1.3825   -0.7748 C   0  0  0  0  0
    9.9180    1.8012    0.3588 O   0  0  0  0  0
    9.2430    1.5175   -1.7871 N   0  0  0  0  0
    9.3194    0.9734   -3.1533 C   0  0  0  0  0
    8.2071    0.0240   -3.5384 C   0  0  0  0  0
    7.0374    0.4989   -4.1545 C   0  0  0  0  0
    6.0269   -0.3813   -4.5462 C   0  0  0  0  0
    6.1794   -1.7501   -4.3473 C   0  0  0  0  0
    7.3332   -2.2374   -3.7383 C   0  0  0  0  0
    8.3355   -1.3558   -3.3256 C   0  0  0  0  0
    7.9800    2.1998   -1.4182 C   0  0  0  0  0
    7.5364    3.3605   -2.3238 C   0  0  0  0  0
    6.3454    3.6538   -2.4142 O   0  0  0  0  0
    8.5819    4.0731   -2.8892 N   0  0  0  0  0
    8.4807    5.1119   -3.8404 C   0  0  0  0  0
    9.6435    5.8358   -4.1388 C   0  0  0  0  0
    9.5607    6.9040   -5.0233 C   0  0  0  0  0
    8.3535    7.2366   -5.6441 C   0  0  0  0  0
    8.5023    8.4405   -6.5288 C   0  0  0  0  0
    9.8365    9.0217   -6.0199 C   0  0  0  0  0
   10.6536    7.8439   -5.4447 C   0  0  0  0  0
   10.6032    9.7293   -7.1381 C   0  0  0  0  0
   10.9678    9.2356   -8.1959 O   0  0  0  0  0
   10.8402   11.0173   -6.7655 N   0  0  0  0  0
   10.2973   11.3010   -5.5509 C   0  0  0  0  0
   10.3467   12.3834   -4.9977 O   0  0  0  0  0
    9.6903   10.1488   -5.0837 N   0  0  0  0  0
    8.9835   10.0586   -3.8217 C   0  0  0  0  0
    7.2112    6.4959   -5.4109 C   0  0  0  0  0
    7.2805    5.4359   -4.4995 C   0  0  0  0  0
   11.3234   -0.9165   -2.3939 H   0  0  0  0  0
   10.8523   -1.2495   -0.7255 H   0  0  0  0  0
   12.5563   -1.1782   -1.1951 H   0  0  0  0  0
   11.9120    0.2960    1.1204 H   0  0  0  0  0
   12.4470    1.9247    0.6801 H   0  0  0  0  0
   13.4188    0.5211    0.2226 H   0  0  0  0  0
   12.0309    1.4682   -3.0617 H   0  0  0  0  0
   13.4507    1.3256   -2.0413 H   0  0  0  0  0
   12.3228    2.6723   -1.8138 H   0  0  0  0  0
    9.3309    1.8151   -3.8542 H   0  0  0  0  0
   10.2628    0.4684   -3.3299 H   0  0  0  0  0
    6.8973    1.5613   -4.3436 H   0  0  0  0  0
    5.1244    0.0037   -5.0127 H   0  0  0  0  0
    5.4006   -2.4366   -4.6673 H   0  0  0  0  0
    7.4563   -3.3078   -3.5889 H   0  0  0  0  0
    9.2243   -1.7654   -2.8552 H   0  0  0  0  0
    8.0269    2.6242   -0.4097 H   0  0  0  0  0
    7.1871    1.4440   -1.4039 H   0  0  0  0  0
    9.5040    3.8624   -2.5264 H   0  0  0  0  0
   10.5911    5.6014   -3.6659 H   0  0  0  0  0
    7.6673    9.1373   -6.4014 H   0  0  0  0  0
    8.5545    8.1217   -7.5753 H   0  0  0  0  0
   11.2763    8.1416   -4.5951 H   0  0  0  0  0
   11.2779    7.3597   -6.2041 H   0  0  0  0  0
   11.3261   11.6967   -7.3269 H   0  0  0  0  0
    9.4430    9.2851   -3.2028 H   0  0  0  0  0
    7.9364    9.8121   -4.0111 H   0  0  0  0  0
    9.0323   11.0130   -3.2906 H   0  0  0  0  0
    6.2719    6.7351   -5.9005 H   0  0  0  0  0
    6.3686    4.8721   -4.3235 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
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 11 12  2  0  0  0
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 22 23  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 23 56  1  0  0  0
 24 31  1  0  0  0
 24 26  1  0  0  0
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 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>
CHEMBL571823

>  <PubChem CID>
45485625

>  <Formula>
C26H30N4O4

>  <Molecular Weight>
462.550000

>  <IUPAC Name>
N-benzyl-2,2-dimethyl-N-[2-[[(2S)-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-/m0/s1

>  <InChI Key>
CRXOAPVFOGTLOS-SANMLTNESA-N

