
 SCHEMBL2682910

 72 76  0  0  0  0  0  0  0  0999 V2000
    0.9887    2.0616    4.2946 C   0  0  0  0  0
    1.3615    0.7614    4.9991 C   0  0  0  0  0
    0.1417    0.1014    5.6399 C   0  0  0  0  0
   -1.0131   -0.1328    4.6483 C   0  0  0  0  0
   -1.3548    1.1857    3.9279 C   0  0  0  0  0
   -0.1385    1.8561    3.2879 C   0  0  0  0  0
   -0.7265   -1.2525    3.6317 C   0  0  0  0  0
   -0.6198   -2.5698    4.2388 N   0  0  0  0  0
   -0.4702   -3.6796    3.4298 C   0  0  0  0  0
   -0.5246   -3.6211    2.2040 O   0  0  0  0  0
   -0.0874   -4.9427    4.1733 C   0  0  0  0  0
   -1.1488   -5.4957    5.1678 C   0  0  0  0  0
   -2.4033   -5.8740    4.3846 C   0  0  0  0  0
   -2.1064   -6.9668    3.6520 C   0  0  0  0  0
   -0.6413   -7.3094    3.9226 C   0  0  0  0  0
    0.1597   -6.1747    3.2183 C   0  0  0  0  0
    1.6402   -6.4643    3.0957 C   0  0  0  0  0
    2.1625   -7.5197    3.4338 O   0  0  0  0  0
    2.3389   -5.4136    2.5323 N   0  0  0  0  0
    3.7545   -5.5005    2.2411 C   0  0  0  0  0
    4.0403   -6.1680    0.8973 C   0  0  0  0  0
    3.4471   -5.3796   -0.2756 C   0  0  0  0  0
    3.8154   -5.9700   -1.6426 C   0  0  0  0  0
    5.2513   -5.9404   -1.9306 N   0  0  0  0  0
    5.5631   -6.5886   -3.2064 C   0  0  0  0  0
    6.9881   -6.1353   -3.4531 C   0  0  0  0  0
    6.9912   -4.6926   -2.9754 C   0  0  0  0  0
    5.8105   -4.5870   -2.0144 C   0  0  0  0  0
   -0.5475   -6.8708    5.3692 C   0  0  0  0  0
    0.5578   -7.2171    6.3289 C   0  0  0  0  0
   -0.8352   -7.7716    6.5401 C   0  0  0  0  0
    0.6779    2.8027    5.0415 H   0  0  0  0  0
    1.8687    2.4729    3.7872 H   0  0  0  0  0
    2.1121    0.9680    5.7707 H   0  0  0  0  0
    1.8284    0.0746    4.2840 H   0  0  0  0  0
    0.4437   -0.8345    6.1213 H   0  0  0  0  0
   -0.2208    0.7533    6.4461 H   0  0  0  0  0
   -1.8949   -0.4347    5.2292 H   0  0  0  0  0
   -2.1218    1.0144    3.1633 H   0  0  0  0  0
   -1.7937    1.8807    4.6555 H   0  0  0  0  0
    0.2244    1.2508    2.4492 H   0  0  0  0  0
   -0.4337    2.8257    2.8700 H   0  0  0  0  0
    0.1995   -1.0701    3.0758 H   0  0  0  0  0
   -1.5370   -1.3023    2.8944 H   0  0  0  0  0
   -0.2583   -2.6331    5.1810 H   0  0  0  0  0
    0.8335   -4.7139    4.7291 H   0  0  0  0  0
   -1.3265   -4.9130    6.0727 H   0  0  0  0  0
   -3.3489   -5.3546    4.4159 H   0  0  0  0  0
   -2.7583   -7.4954    2.9736 H   0  0  0  0  0
   -0.3571   -8.3417    3.7104 H   0  0  0  0  0
   -0.2172   -6.0240    2.1980 H   0  0  0  0  0
    1.8051   -4.6724    2.0876 H   0  0  0  0  0
    4.2448   -6.0642    3.0425 H   0  0  0  0  0
    4.1513   -4.4800    2.2560 H   0  0  0  0  0
    3.6359   -7.1874    0.8912 H   0  0  0  0  0
    5.1270   -6.2513    0.7832 H   0  0  0  0  0
    3.7596   -4.3301   -0.2180 H   0  0  0  0  0
    2.3530   -5.3791   -0.1946 H   0  0  0  0  0
    3.2576   -5.4302   -2.4191 H   0  0  0  0  0
    3.4654   -7.0100   -1.6692 H   0  0  0  0  0
    4.9091   -6.2359   -4.0140 H   0  0  0  0  0
    5.4926   -7.6788   -3.1422 H   0  0  0  0  0
    7.6886   -6.7286   -2.8525 H   0  0  0  0  0
    7.2809   -6.2243   -4.5034 H   0  0  0  0  0
    7.9412   -4.4357   -2.4964 H   0  0  0  0  0
    6.8441   -4.0133   -3.8231 H   0  0  0  0  0
    6.1407   -4.2439   -1.0281 H   0  0  0  0  0
    5.0889   -3.8598   -2.4062 H   0  0  0  0  0
    0.9073   -6.4576    7.0181 H   0  0  0  0  0
    1.3286   -7.9066    5.9998 H   0  0  0  0  0
   -0.9893   -8.8284    6.3486 H   0  0  0  0  0
   -1.4202   -7.3784    7.3633 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  5 40  1  0  0  0
  6 41  1  0  0  0
  6 42  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 12 29  1  0  0  0
 12 13  1  0  0  0
 12 47  1  0  0  0
 13 14  2  0  0  0
 13 48  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 51  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 20 54  1  0  0  0
 21 22  1  0  0  0
 21 55  1  0  0  0
 21 56  1  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 22 58  1  0  0  0
 23 24  1  0  0  0
 23 59  1  0  0  0
 23 60  1  0  0  0
 24 28  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 61  1  0  0  0
 25 62  1  0  0  0
 26 27  1  0  0  0
 26 63  1  0  0  0
 26 64  1  0  0  0
 27 28  1  0  0  0
 27 65  1  0  0  0
 27 66  1  0  0  0
 28 67  1  0  0  0
 28 68  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 69  1  0  0  0
 30 70  1  0  0  0
 31 71  1  0  0  0
 31 72  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2682910

>  <PubChem CID>
67495699

>  <Formula>
C26H41N3O2

>  <Molecular Weight>
427.633000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-(cyclohexylmethyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)CNC(=O)C2C3C=CC(C2C(=O)NCCCCN4CCCC4)C35CC5

>  <Isomeric SMILES>
C1CCC(CC1)CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5

>  <InChI Std. ID>
InChI=1S/C26H41N3O2/c30-24(27-14-4-5-15-29-16-6-7-17-29)22-20-10-11-21(26(20)12-13-26)23(22)25(31)28-18-19-8-2-1-3-9-19/h10-11,19-23H,1-9,12-18H2,(H,27,30)(H,28,31)/t20-,21+,22-,23-/m1/s1

>  <InChI Key>
BTPHBDNCVTXFJU-KAOXLYBCSA-N

