
 CHEMBL15933

 67 72  0  0  0  0  0  0  0  0999 V2000
    5.4969    1.9243    0.7670 C   0  0  0  0  0
    4.4593    0.8543    0.9806 C   0  0  0  0  0
    3.0723    1.0860    0.8246 C   0  0  0  0  0
    2.2019   -0.0052    1.0365 C   0  0  0  0  0
    2.6721   -1.2783    1.3761 C   0  0  0  0  0
    4.0378   -1.5038    1.5454 C   0  0  0  0  0
    4.9172   -0.4282    1.3635 C   0  0  0  0  0
    4.5423   -2.8249    1.9027 C   0  0  0  0  0
    3.8321   -3.9575    1.7638 N   0  0  0  0  0
    4.6911   -4.9488    2.2373 O   0  0  0  0  0
    5.8339   -4.3163    2.6212 C   0  0  0  0  0
    5.8053   -3.0182    2.4250 N   0  0  0  0  0
    6.8908   -5.1616    3.2011 C   0  0  0  0  0
    2.4855    2.3896    0.4250 C   0  0  0  0  0
    1.5401    2.4492   -0.6163 C   0  0  0  0  0
    0.9217    3.6514   -0.9725 C   0  0  0  0  0
    1.2611    4.8358   -0.3153 C   0  0  0  0  0
    2.2028    4.8093    0.7155 C   0  0  0  0  0
    2.7943    3.5922    1.0887 C   0  0  0  0  0
    0.5405    6.0780   -0.6915 C   0  0  0  0  0
   -0.6626    5.9945   -0.9075 O   0  0  0  0  0
    1.3333    7.2072   -0.8218 N   0  0  0  0  0
    0.8876    8.5048   -1.1670 C   0  0  0  0  0
    1.8565    9.4539   -1.5340 C   0  0  0  0  0
    1.4460   10.7254   -1.9194 C   0  0  0  0  0
    0.0976   11.0569   -1.9091 C   0  0  0  0  0
   -0.8713   10.1660   -1.5130 C   0  0  0  0  0
   -0.4704    8.8775   -1.1477 C   0  0  0  0  0
   -0.1625   12.3399   -2.3132 O   0  0  0  0  0
    1.0653   12.7293   -2.9710 C   0  0  0  0  0
    2.2357   11.9225   -2.3516 C   0  0  0  0  0
    2.8467   12.6446   -1.1359 C   0  0  0  0  0
    3.6892   13.8559   -1.5512 C   0  0  0  0  0
    4.6967   13.5666   -2.5775 N   0  0  0  0  0
    4.1207   12.8844   -3.7403 C   0  0  0  0  0
    3.3275   11.6236   -3.3868 C   0  0  0  0  0
    5.8546   12.8618   -2.0322 C   0  0  0  0  0
    5.2681    2.5258   -0.1178 H   0  0  0  0  0
    6.4880    1.4864    0.5979 H   0  0  0  0  0
    5.5654    2.5682    1.6490 H   0  0  0  0  0
    1.1251    0.1286    0.9373 H   0  0  0  0  0
    1.9554   -2.0848    1.5131 H   0  0  0  0  0
    5.9871   -0.5950    1.4991 H   0  0  0  0  0
    7.7720   -4.5627    3.4512 H   0  0  0  0  0
    7.1937   -5.9400    2.4956 H   0  0  0  0  0
    6.5347   -5.6424    4.1170 H   0  0  0  0  0
    1.2592    1.5458   -1.1541 H   0  0  0  0  0
    0.1663    3.6575   -1.7573 H   0  0  0  0  0
    2.4443    5.7104    1.2719 H   0  0  0  0  0
    3.4810    3.5872    1.9319 H   0  0  0  0  0
    2.3355    7.0685   -0.7962 H   0  0  0  0  0
    2.9122    9.2018   -1.5378 H   0  0  0  0  0
   -1.9189   10.4485   -1.4985 H   0  0  0  0  0
   -1.2437    8.1817   -0.8387 H   0  0  0  0  0
    0.9384   12.5142   -4.0409 H   0  0  0  0  0
    1.1814   13.8119   -2.8691 H   0  0  0  0  0
    2.0616   12.9780   -0.4440 H   0  0  0  0  0
    3.4734   11.9469   -0.5652 H   0  0  0  0  0
    3.0312   14.6464   -1.9326 H   0  0  0  0  0
    4.1655   14.2920   -0.6635 H   0  0  0  0  0
    4.9088   12.6332   -4.4608 H   0  0  0  0  0
    3.4648   13.5896   -4.2660 H   0  0  0  0  0
    2.8908   11.2016   -4.3011 H   0  0  0  0  0
    4.0138   10.8571   -3.0053 H   0  0  0  0  0
    6.3179   13.4509   -1.2332 H   0  0  0  0  0
    6.6211   12.7318   -2.8038 H   0  0  0  0  0
    5.6070   11.8756   -1.6273 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  2  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 43  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
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 29 30  1  0  0  0
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 33 34  1  0  0  0
 33 59  1  0  0  0
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 34 35  1  0  0  0
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 37 65  1  0  0  0
 37 66  1  0  0  0
 37 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL15933

>  <PubChem CID>
10838923

>  <Formula>
C30H30N4O3

>  <Molecular Weight>
494.595000

>  <IUPAC Name>
4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]-5-yl)benzamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCC56CCN(CC6)C

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCC56CCN(CC6)C

>  <InChI Std. ID>
InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35)

>  <InChI Key>
XNFJKHWCJLRFLZ-UHFFFAOYSA-N

