
 CHEMBL577304

 67 70  0  0  0  0  0  0  0  0999 V2000
    4.2320    0.3700    4.1062 C   0  0  0  0  0
    3.6974   -0.3252    2.8471 C   0  0  0  0  0
    4.2505   -1.7551    2.7385 C   0  0  0  0  0
    2.1643   -0.5053    3.0222 C   0  0  0  0  0
    3.9187    0.6118    1.6159 C   0  0  0  0  0
    2.9327    1.1534    1.0945 O   0  0  0  0  0
    5.1790    0.9213    1.1098 N   0  0  0  0  0
    6.3940    0.1351    1.3087 C   0  0  0  0  0
    6.5971   -0.9212    0.2359 C   0  0  0  0  0
    5.5246   -1.5161   -0.4485 C   0  0  0  0  0
    5.7386   -2.4937   -1.4197 C   0  0  0  0  0
    7.0368   -2.9028   -1.7375 C   0  0  0  0  0
    8.1144   -2.3074   -1.0656 C   0  0  0  0  0
    7.8968   -1.3347   -0.0843 C   0  0  0  0  0
    7.2794   -3.9503   -2.7944 C   0  0  0  0  0
    7.8835   -3.4347   -3.9010 F   0  0  0  0  0
    8.0829   -4.9595   -2.3608 F   0  0  0  0  0
    6.1375   -4.5466   -3.2391 F   0  0  0  0  0
    5.1953    1.9030    0.0038 C   0  0  0  0  0
    6.5541    2.2561   -0.6359 C   0  0  0  0  0
    7.3585    2.9793   -0.0539 O   0  0  0  0  0
    6.7694    1.5885   -1.8337 N   0  0  0  0  0
    7.8847    1.6796   -2.6928 C   0  0  0  0  0
    7.8208    0.9515   -3.8915 C   0  0  0  0  0
    8.8408    1.0890   -4.8235 C   0  0  0  0  0
    9.9247    1.9300   -4.5782 C   0  0  0  0  0
   10.8227    2.0386   -5.7733 C   0  0  0  0  0
   10.3364    0.8633   -6.6485 C   0  0  0  0  0
    8.9116    0.4819   -6.1935 C   0  0  0  0  0
   10.3519    1.2612   -8.1293 C   0  0  0  0  0
    9.6978    2.1510   -8.6481 O   0  0  0  0  0
   11.2446    0.4762   -8.7897 N   0  0  0  0  0
   11.8333   -0.4139   -7.9532 C   0  0  0  0  0
   12.7119   -1.1943   -8.2741 O   0  0  0  0  0
   11.2735   -0.2627   -6.6970 N   0  0  0  0  0
   11.7378   -0.9694   -5.5226 C   0  0  0  0  0
   10.0331    2.6125   -3.3794 C   0  0  0  0  0
    9.0077    2.4807   -2.4343 C   0  0  0  0  0
    3.7456    1.3424    4.2506 H   0  0  0  0  0
    5.3083    0.5555    4.0503 H   0  0  0  0  0
    4.0423   -0.2323    5.0018 H   0  0  0  0  0
    5.3323   -1.8260    2.8443 H   0  0  0  0  0
    3.9657   -2.2221    1.7920 H   0  0  0  0  0
    3.8507   -2.3891    3.5402 H   0  0  0  0  0
    1.6548    0.4532    3.1716 H   0  0  0  0  0
    1.9287   -1.1396    3.8839 H   0  0  0  0  0
    1.7252   -0.9776    2.1340 H   0  0  0  0  0
    6.4033   -0.3241    2.2927 H   0  0  0  0  0
    7.2445    0.8256    1.3244 H   0  0  0  0  0
    4.4960   -1.2284   -0.2435 H   0  0  0  0  0
    4.8789   -2.9377   -1.9216 H   0  0  0  0  0
    9.1357   -2.6023   -1.3045 H   0  0  0  0  0
    8.7551   -0.8886    0.4164 H   0  0  0  0  0
    4.7604    2.8387    0.3789 H   0  0  0  0  0
    4.5147    1.5441   -0.7789 H   0  0  0  0  0
    6.0411    0.9514   -2.1341 H   0  0  0  0  0
    6.9694    0.3175   -4.1201 H   0  0  0  0  0
   11.8766    1.9536   -5.4920 H   0  0  0  0  0
   10.6581    3.0089   -6.2552 H   0  0  0  0  0
    8.7630   -0.6022   -6.1508 H   0  0  0  0  0
    8.1374    0.9288   -6.8267 H   0  0  0  0  0
   11.4694    0.5585   -9.7651 H   0  0  0  0  0
   10.8804   -1.3121   -4.9389 H   0  0  0  0  0
   12.3542   -0.2973   -4.9204 H   0  0  0  0  0
   12.3444   -1.8313   -5.8141 H   0  0  0  0  0
   10.8765    3.2672   -3.1792 H   0  0  0  0  0
    9.1018    3.0426   -1.5103 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  5  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 42  1  0  0  0
  3 43  1  0  0  0
  3 44  1  0  0  0
  4 45  1  0  0  0
  4 46  1  0  0  0
  4 47  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 19  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  8 49  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
 11 51  1  0  0  0
 12 13  1  0  0  0
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 15 18  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 56  1  0  0  0
 23 38  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 57  1  0  0  0
 25 26  2  0  0  0
 25 29  1  0  0  0
 26 37  1  0  0  0
 26 27  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 27 59  1  0  0  0
 28 35  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32 62  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35 36  1  0  0  0
 36 63  1  0  0  0
 36 64  1  0  0  0
 36 65  1  0  0  0
 37 38  2  0  0  0
 37 66  1  0  0  0
 38 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL577304

>  <PubChem CID>
45485609

>  <Formula>
C27H29F3N4O4

>  <Molecular Weight>
530.548000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

>  <InChI Std. ID>
InChI=1S/C27H29F3N4O4/c1-25(2,3)23(37)34(14-16-5-8-19(9-6-16)27(28,29)30)15-21(35)31-20-10-7-17-12-26(13-18(17)11-20)22(36)32-24(38)33(26)4/h5-11H,12-15H2,1-4H3,(H,31,35)(H,32,36,38)

>  <InChI Key>
BAAAFCFMTPDYKI-UHFFFAOYSA-N

