
 CHEMBL3786346

 59 64  0  0  0  0  0  0  0  0999 V2000
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    4.1651    5.2243   -4.3081 O   0  0  0  0  0
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    5.7395    5.2007   -2.2904 C   0  0  0  0  0
    6.9189    5.9413   -2.6736 N   0  0  0  0  0
    6.3830    6.3728   -3.9474 C   0  0  0  0  0
    8.1247    6.2353   -2.0832 C   0  0  0  0  0
    8.9619    6.8975   -2.7004 O   0  0  0  0  0
    8.3339    5.7679   -0.7252 C   0  0  0  0  0
    7.5034    5.0879    0.0416 N   0  0  0  0  0
    8.1018    4.9934    1.2819 N   0  0  0  0  0
    9.2670    5.6017    1.1835 C   0  0  0  0  0
    9.4932    6.1048   -0.0700 O   0  0  0  0  0
   10.2735    5.8805    2.1973 C   0  0  0  0  0
   11.5869    6.2332    1.8521 C   0  0  0  0  0
   12.5292    6.5271    2.8411 C   0  0  0  0  0
   12.1677    6.4774    4.1857 C   0  0  0  0  0
   10.8686    6.1242    4.5443 C   0  0  0  0  0
    9.9287    5.8212    3.5560 C   0  0  0  0  0
   -4.7676    5.2882   -1.7245 O   0  0  0  0  0
   -5.9959    5.2010   -2.4570 C   0  0  0  0  0
   -6.4448    4.0709   -4.2784 H   0  0  0  0  0
   -5.9894    3.0929   -2.8684 H   0  0  0  0  0
   -4.1562    4.8885   -4.5042 H   0  0  0  0  0
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   -1.9669    5.5249   -3.4442 H   0  0  0  0  0
   -1.5792    3.1196   -3.7937 H   0  0  0  0  0
   -0.8072    2.2232   -2.4870 H   0  0  0  0  0
    0.8249    4.5087   -1.2342 H   0  0  0  0  0
    3.0154    5.3914   -1.7918 H   0  0  0  0  0
    2.5277    4.0662   -5.8657 H   0  0  0  0  0
    0.2910    3.1967   -5.3083 H   0  0  0  0  0
    4.4634    6.8688   -3.0216 H   0  0  0  0  0
    5.8418    4.1242   -2.4551 H   0  0  0  0  0
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   11.8900    6.2827    0.8077 H   0  0  0  0  0
   13.5437    6.7991    2.5600 H   0  0  0  0  0
   12.8986    6.7154    4.9544 H   0  0  0  0  0
   10.5838    6.0889    5.5930 H   0  0  0  0  0
    8.9156    5.5533    3.8530 H   0  0  0  0  0
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   -6.1378    6.1400   -3.0010 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3786346

>  <PubChem CID>
71227163

>  <Formula>
C25H26N4O4

>  <Molecular Weight>
446.507000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC2(CN(C2)CC3=CC=C(C=C3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=CC=C6)OC1

>  <Isomeric SMILES>
C1CC2(CN(C2)CC3=CC=C(C=C3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=CC=C6)OC1

>  <InChI Std. ID>
InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-5-2-1-3-6-19)29-14-21(15-29)32-20-9-7-18(8-10-20)13-28-16-25(17-28)11-4-12-31-25/h1-3,5-10,21H,4,11-17H2

>  <InChI Key>
AGTGRRLYPSCMPU-UHFFFAOYSA-N

