
 CHEMBL379192

 63 66  0  0  0  0  0  0  0  0999 V2000
    4.6449   -2.4822   -1.1193 C   0  0  0  0  0
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    7.6304    1.3740    0.3869 N   0  0  0  0  0
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    6.4251    2.8160   -1.1443 C   0  0  0  0  0
    6.3330    3.9543   -1.6022 O   0  0  0  0  0
    5.3063    2.0007   -0.9225 N   0  0  0  0  0
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   -0.5867   -0.0420   -2.7360 F   0  0  0  0  0
    2.9787    2.9409   -3.4272 F   0  0  0  0  0
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    4.0245    2.4638    1.6189 O   0  0  0  0  0
    3.3820    4.4872    0.7472 N   0  0  0  0  0
    3.1568    5.1263    2.0199 C   0  0  0  0  0
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    9.7631    3.9534    2.7380 C   0  0  0  0  0
   10.6397    3.2473    3.5628 C   0  0  0  0  0
   11.4589    2.2362    3.0362 C   0  0  0  0  0
   11.4209    1.9242    1.6756 C   0  0  0  0  0
   10.5436    2.6259    0.8672 C   0  0  0  0  0
   10.3225    2.4746   -0.6053 C   0  0  0  0  0
    4.2174   -2.0327   -0.2186 H   0  0  0  0  0
    4.8199   -3.5425   -0.9062 H   0  0  0  0  0
    3.8994   -2.4198   -1.9195 H   0  0  0  0  0
    6.6787   -1.9382   -0.7213 H   0  0  0  0  0
    5.8752   -2.3414   -3.6386 H   0  0  0  0  0
    6.6661   -3.5460   -2.6036 H   0  0  0  0  0
    7.5092   -2.0493   -3.0165 H   0  0  0  0  0
    4.9108   -0.1586   -2.4887 H   0  0  0  0  0
    6.6250    0.0823   -2.3225 H   0  0  0  0  0
    4.5803    0.2411   -0.0239 H   0  0  0  0  0
    8.4122    1.2108    1.0112 H   0  0  0  0  0
    8.0019    1.4535   -1.6452 H   0  0  0  0  0
    4.0513    3.5804   -1.4371 H   0  0  0  0  0
    0.8549    1.6324   -4.1189 H   0  0  0  0  0
    0.3872   -0.3533   -0.3490 H   0  0  0  0  0
    2.3824    0.7976    0.5334 H   0  0  0  0  0
    3.2822    5.0488   -0.0898 H   0  0  0  0  0
    3.5157    4.5161    2.8519 H   0  0  0  0  0
    2.0832    5.3001    2.1265 H   0  0  0  0  0
    3.6775    6.0871    2.0163 H   0  0  0  0  0
    8.9513    3.6914   -1.7680 H   0  0  0  0  0
    7.8239    4.3784    0.6826 H   0  0  0  0  0
    9.2768    5.1773    0.0140 H   0  0  0  0  0
    9.1275    4.7335    3.1455 H   0  0  0  0  0
   10.6860    3.4793    4.6241 H   0  0  0  0  0
   12.1298    1.6921    3.6969 H   0  0  0  0  0
   12.0577    1.1433    1.2722 H   0  0  0  0  0
   10.3082    1.4257   -0.9171 H   0  0  0  0  0
   11.1112    3.0059   -1.1489 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  4  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5 12  1  0  0  0
  5  6  1  0  0  0
  5 44  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
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  9 10  1  0  0  0
  9 26  1  0  0  0
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 34 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL379192

>  <PubChem CID>
11662784

>  <Formula>
C26H29F2N3O3

>  <Molecular Weight>
469.533000

>  <IUPAC Name>
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)CC1C(=O)NC(C(=O)N1C(C2=C(C=C(C=C2)F)F)C(=O)NC)C3CC4=CC=CC=C4C3

>  <Isomeric SMILES>
CC(C)C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](C2=C(C=C(C=C2)F)F)C(=O)NC)C3CC4=CC=CC=C4C3

>  <InChI Std. ID>
InChI=1S/C26H29F2N3O3/c1-14(2)10-21-24(32)30-22(17-11-15-6-4-5-7-16(15)12-17)26(34)31(21)23(25(33)29-3)19-9-8-18(27)13-20(19)28/h4-9,13-14,17,21-23H,10-12H2,1-3H3,(H,29,33)(H,30,32)/t21-,22-,23-/m1/s1

>  <InChI Key>
BHSQMVFEBBDVTO-DNVJHFABSA-N

