
 CHEMBL133375

 74 78  0  0  0  0  0  0  0  0999 V2000
    3.4060   -0.7165    1.6237 C   0  0  0  0  0
    2.9621   -0.2759    0.2371 C   0  0  0  0  0
    3.4132    1.1457   -0.1294 C   0  0  0  0  0
    4.8623    1.3518   -0.1080 N   0  0  0  0  0
    5.5888    0.5040   -1.0552 C   0  0  0  0  0
    6.9802    1.0927   -1.0063 C   0  0  0  0  0
    6.7149    2.5868   -1.0063 C   0  0  0  0  0
    5.3372    2.7545   -0.3067 C   0  0  0  0  0
    4.4224    3.6836   -1.1420 C   0  0  0  0  0
    4.7998    5.1394   -1.0126 C   0  0  0  0  0
    5.6173    5.5607    0.0434 C   0  0  0  0  0
    5.9598    6.9040    0.1824 C   0  0  0  0  0
    5.4505    7.8479   -0.7038 C   0  0  0  0  0
    4.6089    7.4469   -1.7422 C   0  0  0  0  0
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    3.4323    5.6240   -2.8724 O   0  0  0  0  0
    3.3451    6.3272   -4.1139 C   0  0  0  0  0
    4.5141    5.9821   -5.0369 C   0  0  0  0  0
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    5.6168    4.1354   -6.4295 C   0  0  0  0  0
    6.9621    4.2743   -5.8754 N   0  0  0  0  0
    7.6595    5.4456   -6.1658 C   0  0  0  0  0
    7.1874    6.3683   -6.8319 O   0  0  0  0  0
    9.0361    5.5896   -5.5602 C   0  0  0  0  0
    9.7334    4.2479   -5.3575 C   0  0  0  0  0
   11.0998    4.4495   -4.6641 C   0  0  0  0  0
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    8.8116    3.3943   -4.4847 C   0  0  0  0  0
    7.4325    3.2296   -5.0814 C   0  0  0  0  0
    6.7648    2.2292   -4.8115 O   0  0  0  0  0
    6.1498    4.7180    0.9812 O   0  0  0  0  0
    5.5162    3.4344    1.0662 C   0  0  0  0  0
    3.0182   -1.7173    1.8396 H   0  0  0  0  0
    3.0271   -0.0344    2.3914 H   0  0  0  0  0
    4.4964   -0.7567    1.7038 H   0  0  0  0  0
    1.8664   -0.3094    0.1957 H   0  0  0  0  0
    3.3179   -0.9962   -0.5084 H   0  0  0  0  0
    2.9441    1.8299    0.5890 H   0  0  0  0  0
    3.0037    1.3807   -1.1196 H   0  0  0  0  0
    5.6056   -0.5460   -0.7493 H   0  0  0  0  0
    5.1731    0.5782   -2.0675 H   0  0  0  0  0
    7.4920    0.7999   -0.0810 H   0  0  0  0  0
    7.5992    0.7797   -1.8523 H   0  0  0  0  0
    7.5360    3.1164   -0.5123 H   0  0  0  0  0
    6.6755    2.9323   -2.0454 H   0  0  0  0  0
    3.3839    3.6217   -0.7962 H   0  0  0  0  0
    4.4377    3.3688   -2.1920 H   0  0  0  0  0
    6.6040    7.2168    1.0000 H   0  0  0  0  0
    5.6913    8.8998   -0.5733 H   0  0  0  0  0
    4.1976    8.2211   -2.3802 H   0  0  0  0  0
    3.2460    7.4079   -3.9826 H   0  0  0  0  0
    2.4093    6.0069   -4.5875 H   0  0  0  0  0
    5.4564    6.2261   -4.5349 H   0  0  0  0  0
    4.4472    6.5994   -5.9399 H   0  0  0  0  0
    3.5463    4.2546   -5.8863 H   0  0  0  0  0
    4.6060    3.8783   -4.5328 H   0  0  0  0  0
    5.5138    4.7443   -7.3350 H   0  0  0  0  0
    5.4770    3.0926   -6.7404 H   0  0  0  0  0
    9.6317    6.2260   -6.2265 H   0  0  0  0  0
    8.9217    6.1221   -4.6078 H   0  0  0  0  0
   11.0549    4.3306   -3.5766 H   0  0  0  0  0
   11.4950    5.4532   -4.8670 H   0  0  0  0  0
   13.0743    3.6664   -5.1711 H   0  0  0  0  0
   11.8386    2.4261   -4.8729 H   0  0  0  0  0
   12.0012    4.3452   -7.2491 H   0  0  0  0  0
   11.9351    2.5751   -7.3134 H   0  0  0  0  0
    9.6883    4.0750   -7.5750 H   0  0  0  0  0
    9.6538    2.5294   -6.7287 H   0  0  0  0  0
    9.2416    2.3957   -4.3395 H   0  0  0  0  0
    8.6830    3.8440   -3.4922 H   0  0  0  0  0
    4.5572    3.5521    1.5878 H   0  0  0  0  0
    6.1525    2.8188    1.7140 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  3  1  0  0  0
  2 38  1  0  0  0
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  3  4  1  0  0  0
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  4  8  1  0  0  0
  4  5  1  0  0  0
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  8  9  1  0  0  0
  9 10  1  0  0  0
  9 48  1  0  0  0
  9 49  1  0  0  0
 10 11  2  0  0  0
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 24 25  1  0  0  0
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 33 34  1  0  0  0
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 34 74  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL133375

>  <PubChem CID>
10838030

>  <Formula>
C28H40N2O4

>  <Molecular Weight>
468.638000

>  <IUPAC Name>
8-[4-(1'-propylspiro[2,4-dihydrochromene-3,2'-pyrrolidine]-5-yl)oxybutyl]-8-azaspiro[4.5]decane-7,9-dione

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN1CCCC12CC3=C(C=CC=C3OCCCCN4C(=O)CC5(CCCC5)CC4=O)OC2

>  <Isomeric SMILES>
CCCN1CCCC12CC3=C(C=CC=C3OCCCCN4C(=O)CC5(CCCC5)CC4=O)OC2

>  <InChI Std. ID>
InChI=1S/C28H40N2O4/c1-2-14-29-15-8-13-28(29)18-22-23(9-7-10-24(22)34-21-28)33-17-6-5-16-30-25(31)19-27(20-26(30)32)11-3-4-12-27/h7,9-10H,2-6,8,11-21H2,1H3

>  <InChI Key>
CVBMSXGNWVNTDT-UHFFFAOYSA-N

