
 RY-764

 93 97  0  0  0  0  0  0  0  0999 V2000
    1.7366   -0.2532    3.6622 C   0  0  0  0  0
    2.1106   -0.2089    2.1690 C   0  0  0  0  0
    3.4810   -0.8929    2.0098 C   0  0  0  0  0
    1.0480   -0.9802    1.3706 C   0  0  0  0  0
    2.1293    1.2103    1.7529 N   0  0  0  0  0
    2.6504    1.6695    0.5582 C   0  0  0  0  0
    3.2236    0.9157   -0.2232 O   0  0  0  0  0
    2.4214    3.1921    0.2397 C   0  0  0  0  0
    3.3294    3.5741   -0.9654 C   0  0  0  0  0
    4.4853    4.5285   -0.6576 C   0  0  0  0  0
    5.1721    4.3125    0.6134 N   0  0  0  0  0
    4.3499    3.9399    1.7545 C   0  0  0  0  0
    2.8548    4.0353    1.4714 C   0  0  0  0  0
    6.4983    4.7430    0.6966 C   0  0  0  0  0
    7.1194    5.0744   -0.3256 O   0  0  0  0  0
    7.1843    4.9546    2.0782 C   0  0  0  0  0
    7.3239    3.7278    2.9933 C   0  0  0  0  0
    8.1351    2.5642    2.4777 C   0  0  0  0  0
    7.5143    1.4931    1.8178 C   0  0  0  0  0
    8.2560    0.3720    1.4438 C   0  0  0  0  0
    9.6173    0.3262    1.7181 C   0  0  0  0  0
   10.2550    1.3858    2.3501 C   0  0  0  0  0
    9.5150    2.5053    2.7295 C   0  0  0  0  0
   10.3225   -0.7608    1.3782 F   0  0  0  0  0
    8.4762    5.6066    1.7942 N   0  0  0  0  0
    9.2522    6.2129    2.7449 C   0  0  0  0  0
    8.8715    6.2893    3.9170 O   0  0  0  0  0
   10.5339    6.9090    2.2661 C   0  0  0  0  0
   11.1396    6.4591    0.9180 C   0  0  0  0  0
   12.6414    6.1653    1.0862 C   0  0  0  0  0
   13.3611    7.4164    1.6133 C   0  0  0  0  0
   12.7659    7.8165    2.9673 C   0  0  0  0  0
   11.6426    6.8313    3.3592 C   0  0  0  0  0
   12.1576    5.4408    3.4019 N   0  0  0  0  0
   12.7929    5.0481    2.1326 C   0  0  0  0  0
   13.0216    5.1779    4.5472 C   0  0  0  0  0
    0.8637    3.3820   -0.0333 C   0  0  0  0  0
    0.3244    4.8308   -0.0944 C   0  0  0  0  0
    0.4218    5.5023   -1.4574 C   0  0  0  0  0
   -0.2474    4.6605   -2.5344 C   0  0  0  0  0
    0.2944    3.2374   -2.5779 C   0  0  0  0  0
    0.2879    2.5553   -1.2102 C   0  0  0  0  0
    0.7551    0.2007    3.8407 H   0  0  0  0  0
    2.4667    0.3003    4.2642 H   0  0  0  0  0
    1.7017   -1.2825    4.0370 H   0  0  0  0  0
    3.4990   -1.8645    2.5173 H   0  0  0  0  0
    3.7262   -1.0899    0.9613 H   0  0  0  0  0
    4.2826   -0.2763    2.4310 H   0  0  0  0  0
    0.0525   -0.5444    1.5160 H   0  0  0  0  0
    1.0020   -2.0299    1.6830 H   0  0  0  0  0
    1.2567   -0.9610    0.2957 H   0  0  0  0  0
    1.4599    1.8041    2.2220 H   0  0  0  0  0
    2.7551    4.0467   -1.7588 H   0  0  0  0  0
    3.7654    2.6918   -1.4453 H   0  0  0  0  0
    5.1963    4.4956   -1.4911 H   0  0  0  0  0
    4.1031    5.5573   -0.6256 H   0  0  0  0  0
    4.6138    2.9150    2.0287 H   0  0  0  0  0
    4.5882    4.5901    2.6011 H   0  0  0  0  0
    2.3005    3.7498    2.3721 H   0  0  0  0  0
    2.6372    5.0950    1.3036 H   0  0  0  0  0
    6.5891    5.7111    2.6065 H   0  0  0  0  0
    6.3426    3.3473    3.2885 H   0  0  0  0  0
    7.7664    4.0388    3.9490 H   0  0  0  0  0
    6.4473    1.5048    1.6109 H   0  0  0  0  0
    7.7764   -0.4686    0.9527 H   0  0  0  0  0
   11.3180    1.3303    2.5596 H   0  0  0  0  0
   10.0159    3.3220    3.2484 H   0  0  0  0  0
    8.6893    5.7029    0.8055 H   0  0  0  0  0
   10.2366    7.9626    2.1562 H   0  0  0  0  0
   11.0024    7.2565    0.1764 H   0  0  0  0  0
   10.6597    5.5649    0.5111 H   0  0  0  0  0
   13.0754    5.8546    0.1298 H   0  0  0  0  0
   13.2719    8.2441    0.9005 H   0  0  0  0  0
   14.4331    7.2130    1.7282 H   0  0  0  0  0
   13.5522    7.8460    3.7305 H   0  0  0  0  0
   12.3668    8.8363    2.9060 H   0  0  0  0  0
   11.2298    7.1147    4.3347 H   0  0  0  0  0
   13.8577    4.8140    2.2574 H   0  0  0  0  0
   12.3081    4.1332    1.7722 H   0  0  0  0  0
   13.2400    4.1063    4.6156 H   0  0  0  0  0
   12.5268    5.4591    5.4829 H   0  0  0  0  0
   13.9755    5.7132    4.4879 H   0  0  0  0  0
    0.3751    2.9637    0.8589 H   0  0  0  0  0
    0.7704    5.4754    0.6654 H   0  0  0  0  0
   -0.7422    4.7924    0.1714 H   0  0  0  0  0
   -0.0709    6.4811   -1.4114 H   0  0  0  0  0
    1.4647    5.7037   -1.7176 H   0  0  0  0  0
   -1.3279    4.6286   -2.3448 H   0  0  0  0  0
   -0.1148    5.1376   -3.5120 H   0  0  0  0  0
   -0.3161    2.6474   -3.2726 H   0  0  0  0  0
    1.3030    3.2354   -3.0006 H   0  0  0  0  0
   -0.7620    2.3362   -0.9679 H   0  0  0  0  0
    0.7756    1.5786   -1.2899 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  1 45  1  0  0  0
  2  5  1  0  0  0
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  4 51  1  0  0  0
  5  6  1  0  0  0
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  6  8  1  0  0  0
  6  7  2  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
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  9 54  1  0  0  0
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 42 93  1  0  0  0
M  END

>  <Chemical Name>
RY-764

>  <PubChem CID>
6918851

>  <Formula>
C34H51FN4O3

>  <Molecular Weight>
582.805000

>  <IUPAC Name>
(1S,4R,5R)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3-methyl-3-azabicyclo[2.2.2]octane-5-carboxamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)F)NC(=O)C3CC4CCC3N(C4)C)C5CCCCC5

>  <Isomeric SMILES>
CC(C)(C)NC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)F)NC(=O)[C@@H]3C[C@@H]4CC[C@H]3N(C4)C)C5CCCCC5

>  <InChI Std. ID>
InChI=1S/C34H51FN4O3/c1-33(2,3)37-32(42)34(25-8-6-5-7-9-25)16-18-39(19-17-34)31(41)28(21-23-10-13-26(35)14-11-23)36-30(40)27-20-24-12-15-29(27)38(4)22-24/h10-11,13-14,24-25,27-29H,5-9,12,15-22H2,1-4H3,(H,36,40)(H,37,42)/t24-,27+,28+,29+/m0/s1

>  <InChI Key>
ARFBDECCXOFCBN-HOLBEBDISA-N

