
 CHEMBL3670649

 63 68  0  0  0  0  0  0  0  0999 V2000
    2.3656   -0.7471    0.5475 C   0  0  0  0  0
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    7.3858    4.3119   -3.3945 C   0  0  0  0  0
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   -7.9583    3.6941   -3.9458 C   0  0  0  0  0
   -7.5602    3.3901   -5.2466 C   0  0  0  0  0
   -6.2065    3.3716   -5.5724 C   0  0  0  0  0
   -5.2498    3.6636   -4.5972 C   0  0  0  0  0
    1.4824   -1.3366    0.8130 H   0  0  0  0  0
    3.0671   -0.8029    1.3882 H   0  0  0  0  0
    2.8034   -1.1873   -0.3535 H   0  0  0  0  0
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    5.6242    4.3063    0.7247 H   0  0  0  0  0
    4.4572    0.4043   -0.6708 H   0  0  0  0  0
    6.8173    1.0664   -0.4836 H   0  0  0  0  0
    7.3280    2.6997   -0.1240 H   0  0  0  0  0
    6.5652    4.4641   -1.4461 H   0  0  0  0  0
    5.3466    4.0639   -2.6726 H   0  0  0  0  0
    6.9970    4.1193   -4.4014 H   0  0  0  0  0
    7.6352    5.3741   -3.3171 H   0  0  0  0  0
    9.2655    3.3556   -3.9457 H   0  0  0  0  0
    9.1271    3.7880   -2.2293 H   0  0  0  0  0
    7.6822    1.6947   -4.9978 H   0  0  0  0  0
    6.6514    0.6305   -3.9995 H   0  0  0  0  0
    8.1916    0.1282   -1.6923 H   0  0  0  0  0
    9.6761    1.0853   -1.9401 H   0  0  0  0  0
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   -4.1974    3.6393   -4.8748 H   0  0  0  0  0
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  1 36  1  0  0  0
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  2  3  1  0  0  0
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  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
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  7  9  1  0  0  0
  8 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3670649

>  <PubChem CID>
71225876

>  <Formula>
C26H28N4O5

>  <Molecular Weight>
476.533000

>  <IUPAC Name>
[3-[2-methoxy-4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=C(C=CC(=C1)CN2CCCC23COC3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=CC=C6

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)CN2CCCC23COC3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C26H28N4O5/c1-32-22-12-18(13-30-11-5-10-26(30)16-33-17-26)8-9-21(22)34-20-14-29(15-20)25(31)24-28-27-23(35-24)19-6-3-2-4-7-19/h2-4,6-9,12,20H,5,10-11,13-17H2,1H3

>  <InChI Key>
AABXIVRNFNDUCI-UHFFFAOYSA-N

