
 CHEMBL571580

 64 67  0  0  0  0  0  0  0  0999 V2000
    2.4550    1.8979   -2.1213 C   0  0  0  0  0
    2.7815    0.6283   -1.3204 C   0  0  0  0  0
    1.5422    0.0260   -0.6479 C   0  0  0  0  0
    3.2617   -0.4248   -2.3587 C   0  0  0  0  0
    3.9485    0.8634   -0.3222 C   0  0  0  0  0
    4.9942    0.2114   -0.4739 O   0  0  0  0  0
    3.8904    1.7543    0.7423 N   0  0  0  0  0
    2.7771    2.6459    1.0738 C   0  0  0  0  0
    2.3121    2.5983    2.5124 C   0  0  0  0  0
    1.3422    1.6686    2.9160 C   0  0  0  0  0
    0.8333    1.7011    4.2119 C   0  0  0  0  0
    1.2855    2.6313    5.1373 C   0  0  0  0  0
    2.2683    3.5433    4.7615 C   0  0  0  0  0
    2.7746    3.5301    3.4569 C   0  0  0  0  0
   -0.1273    0.8355    4.5622 F   0  0  0  0  0
    5.1861    2.1004    1.3689 C   0  0  0  0  0
    5.7913    1.1362    2.4078 C   0  0  0  0  0
    6.3825    1.5929    3.3880 O   0  0  0  0  0
    5.7854   -0.1901    2.0257 N   0  0  0  0  0
    6.3208   -1.2901    2.7225 C   0  0  0  0  0
    6.7249   -1.2283    4.0581 C   0  0  0  0  0
    7.2566   -2.3658    4.6543 C   0  0  0  0  0
    7.3942   -3.5549    3.9468 C   0  0  0  0  0
    8.0097   -4.6383    4.7779 C   0  0  0  0  0
    8.2131   -3.9523    6.1468 C   0  0  0  0  0
    7.7150   -2.4908    6.0723 C   0  0  0  0  0
    7.4335   -4.6949    7.2433 C   0  0  0  0  0
    6.2368   -4.9437    7.2464 O   0  0  0  0  0
    8.2815   -5.0030    8.2591 N   0  0  0  0  0
    9.5493   -4.6217    7.9748 C   0  0  0  0  0
   10.4972   -4.7297    8.7332 O   0  0  0  0  0
    9.5651   -4.0901    6.6975 N   0  0  0  0  0
   10.7284   -3.4402    6.1318 C   0  0  0  0  0
    6.9821   -3.6434    2.6260 C   0  0  0  0  0
    6.4362   -2.5060    2.0206 C   0  0  0  0  0
    3.3692    2.3485   -2.5248 H   0  0  0  0  0
    1.9514    2.6681   -1.5357 H   0  0  0  0  0
    1.7934    1.6710   -2.9656 H   0  0  0  0  0
    0.9848    0.7433   -0.0471 H   0  0  0  0  0
    1.8189   -0.8080    0.0074 H   0  0  0  0  0
    0.8357   -0.3561   -1.3944 H   0  0  0  0  0
    2.4980   -0.6134   -3.1221 H   0  0  0  0  0
    3.4899   -1.3832   -1.8766 H   0  0  0  0  0
    4.1692   -0.0913   -2.8765 H   0  0  0  0  0
    1.9076    2.4519    0.4553 H   0  0  0  0  0
    3.0862    3.6663    0.8123 H   0  0  0  0  0
    0.9441    0.9300    2.2288 H   0  0  0  0  0
    0.8688    2.6416    6.1392 H   0  0  0  0  0
    2.6331    4.2737    5.4799 H   0  0  0  0  0
    3.5235    4.2712    3.1843 H   0  0  0  0  0
    5.0967    3.0796    1.8514 H   0  0  0  0  0
    5.9321    2.2272    0.5735 H   0  0  0  0  0
    5.5009   -0.3605    1.0599 H   0  0  0  0  0
    6.6284   -0.3204    4.6451 H   0  0  0  0  0
    8.9582   -4.9540    4.3289 H   0  0  0  0  0
    7.3399   -5.5023    4.8322 H   0  0  0  0  0
    8.5052   -1.7606    6.2685 H   0  0  0  0  0
    6.8773   -2.2952    6.7508 H   0  0  0  0  0
    8.0096   -5.4493    9.1176 H   0  0  0  0  0
   10.6949   -2.3738    6.3686 H   0  0  0  0  0
   10.7440   -3.5819    5.0492 H   0  0  0  0  0
   11.6393   -3.8611    6.5667 H   0  0  0  0  0
    7.0761   -4.5704    2.0690 H   0  0  0  0  0
    6.1145   -2.5729    0.9831 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  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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 25 32  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 30  1  0  0  0
 29 59  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 33 60  1  0  0  0
 33 61  1  0  0  0
 33 62  1  0  0  0
 34 35  2  0  0  0
 34 63  1  0  0  0
 35 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL571580

>  <PubChem CID>
45485645

>  <Formula>
C26H29FN4O4

>  <Molecular Weight>
480.540000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

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

>  <InChI Std. ID>
InChI=1S/C26H29FN4O4/c1-25(2,3)23(34)31(14-16-6-5-7-19(27)10-16)15-21(32)28-20-9-8-17-12-26(13-18(17)11-20)22(33)29-24(35)30(26)4/h5-11H,12-15H2,1-4H3,(H,28,32)(H,29,33,35)

>  <InChI Key>
APDYHSALSWFQFE-UHFFFAOYSA-N

