
 CHEMBL3342858

 63 67  0  0  0  0  0  0  0  0999 V2000
    9.6975    1.9080    0.1779 C   0  0  0  0  0
    8.3986    1.3380    0.1469 O   0  0  0  0  0
    7.4689    1.7535    1.0656 C   0  0  0  0  0
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    5.7677    0.1159    0.1553 N   0  0  0  0  0
    5.6781   -1.2108    0.8109 C   0  0  0  0  0
    5.0896   -2.2778   -0.1494 C   0  0  0  0  0
    5.7408   -2.3696   -1.4851 N   0  0  0  0  0
    5.7033   -1.0035   -2.0686 C   0  0  0  0  0
    6.3662    0.0863   -1.1933 C   0  0  0  0  0
    7.1116   -2.8984   -1.3339 C   0  0  0  0  0
    7.9030   -3.1037   -2.6295 C   0  0  0  0  0
    7.2914   -4.1008   -3.5804 C   0  0  0  0  0
    8.4064   -4.5260   -4.3670 O   0  0  0  0  0
    9.5369   -4.4609   -3.4793 C   0  0  0  0  0
    9.1843   -3.6771   -2.3252 O   0  0  0  0  0
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   11.2206   -4.6704   -5.3291 C   0  0  0  0  0
   11.5914   -5.9954   -4.8071 N   0  0  0  0  0
   10.4814   -6.6986   -4.1357 C   0  0  0  0  0
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   13.7233   -8.5414   -7.3716 C   0  0  0  0  0
   12.7050   -8.9698   -6.5460 C   0  0  0  0  0
   12.0019   -8.1536   -5.7307 N   0  0  0  0  0
   10.2920    1.4215   -0.6028 H   0  0  0  0  0
   10.1930    1.7176    1.1357 H   0  0  0  0  0
    9.6634    2.9774   -0.0500 H   0  0  0  0  0
    8.7102    3.2474    2.0572 H   0  0  0  0  0
    7.0414    3.8743    3.7155 H   0  0  0  0  0
    4.8142    2.7804    3.7277 H   0  0  0  0  0
    4.2729    1.0735    2.0428 H   0  0  0  0  0
    5.0237   -1.1677    1.6893 H   0  0  0  0  0
    6.6691   -1.5243    1.1595 H   0  0  0  0  0
    5.1068   -3.2600    0.3403 H   0  0  0  0  0
    4.0260   -2.0525   -0.3120 H   0  0  0  0  0
    6.1588   -1.0043   -3.0644 H   0  0  0  0  0
    4.6519   -0.7330   -2.2343 H   0  0  0  0  0
    7.4339   -0.1425   -1.1650 H   0  0  0  0  0
    6.2302    1.0586   -1.6808 H   0  0  0  0  0
    7.0514   -3.8747   -0.8313 H   0  0  0  0  0
    7.7235   -2.2843   -0.6623 H   0  0  0  0  0
    8.1024   -2.1515   -3.1335 H   0  0  0  0  0
    6.8847   -4.9784   -3.0673 H   0  0  0  0  0
    6.5195   -3.6678   -4.2207 H   0  0  0  0  0
   10.3936   -2.8223   -4.6000 H   0  0  0  0  0
   11.5093   -3.5892   -3.4799 H   0  0  0  0  0
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    9.0577   -6.3621   -2.5614 H   0  0  0  0  0
   10.6715   -5.7719   -2.1968 H   0  0  0  0  0
   13.6405   -5.3044   -6.4449 H   0  0  0  0  0
   14.8481   -6.8065   -7.9606 H   0  0  0  0  0
   14.2569   -9.2371   -8.0088 H   0  0  0  0  0
   12.4161  -10.0165   -6.5097 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3342858

>  <PubChem CID>
118716705

>  <Formula>
C24H32N4O3

>  <Molecular Weight>
424.545000

>  <IUPAC Name>
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-pyridin-2-yl-1,4-dioxa-8-azaspiro[4.5]decane

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3COC4(O3)CCN(CC4)C5=CC=CC=N5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3COC4(O3)CCN(CC4)C5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C24H32N4O3/c1-29-22-7-3-2-6-21(22)27-16-14-26(15-17-27)18-20-19-30-24(31-20)9-12-28(13-10-24)23-8-4-5-11-25-23/h2-8,11,20H,9-10,12-19H2,1H3

>  <InChI Key>
FHQARSACZPJNBL-UHFFFAOYSA-N

