
 BDBM50387908

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.4010   -0.9658   -0.6522 C   0  0  0  0  0
    1.9839   -0.1014    0.4663 C   0  0  0  0  0
    3.0416   -0.8829    1.2484 C   0  0  0  0  0
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    1.8152    2.3175   -0.0427 N   0  0  0  0  0
    2.7023    3.2510   -0.5839 O   0  0  0  0  0
    3.8649    2.5809   -0.8727 C   0  0  0  0  0
    3.7843    1.3001   -0.5934 N   0  0  0  0  0
    4.9212    3.2860   -1.3659 N   0  0  0  0  0
    6.1810    2.5371   -1.4170 C   0  0  0  0  0
    7.2349    3.2959   -2.2189 C   0  0  0  0  0
    7.4553    4.7172   -1.6842 C   0  0  0  0  0
    6.1003    5.4417   -1.7168 C   0  0  0  0  0
    5.0070    4.6927   -0.9515 C   0  0  0  0  0
    8.0810    4.7747   -0.2737 C   0  0  0  0  0
    9.4592    4.1084   -0.1847 C   0  0  0  0  0
   10.0830    4.2400    1.2095 C   0  0  0  0  0
    9.3020    3.4817    2.1855 N   0  0  0  0  0
    9.8033    3.3401    3.4892 C   0  0  0  0  0
   10.6961    4.2540    4.0668 C   0  0  0  0  0
   11.0906    4.0291    5.3871 C   0  0  0  0  0
   10.6272    2.9811    6.1738 C   0  0  0  0  0
    9.6861    2.0997    5.6183 C   0  0  0  0  0
    9.2811    2.3069    4.2883 C   0  0  0  0  0
   11.2934    3.1328    7.4129 C   0  0  0  0  0
   12.0983    4.2393    7.3197 C   0  0  0  0  0
   11.9786    4.7974    6.0840 O   0  0  0  0  0
   11.2027    2.3719    8.5149 O   0  0  0  0  0
    0.6063   -0.4324   -1.1848 H   0  0  0  0  0
    0.9720   -1.8881   -0.2469 H   0  0  0  0  0
    2.1664   -1.2405   -1.3861 H   0  0  0  0  0
    1.1699    0.1323    1.1664 H   0  0  0  0  0
    3.8673   -1.2023    0.6020 H   0  0  0  0  0
    2.6055   -1.7790    1.7035 H   0  0  0  0  0
    3.4666   -0.2706    2.0521 H   0  0  0  0  0
    6.0284    1.5656   -1.9060 H   0  0  0  0  0
    6.5452    2.3349   -0.4016 H   0  0  0  0  0
    8.1709    2.7290   -2.2382 H   0  0  0  0  0
    6.9029    3.3628   -3.2642 H   0  0  0  0  0
    8.1350    5.2390   -2.3709 H   0  0  0  0  0
    6.2002    6.4571   -1.3151 H   0  0  0  0  0
    5.7854    5.5510   -2.7634 H   0  0  0  0  0
    5.1917    4.7523    0.1280 H   0  0  0  0  0
    4.0594    5.2105   -1.1452 H   0  0  0  0  0
    7.4116    4.3174    0.4620 H   0  0  0  0  0
    8.1824    5.8279    0.0186 H   0  0  0  0  0
   10.1316    4.5723   -0.9165 H   0  0  0  0  0
    9.3862    3.0455   -0.4388 H   0  0  0  0  0
   10.1274    5.2997    1.4858 H   0  0  0  0  0
   11.1068    3.8483    1.1677 H   0  0  0  0  0
    8.9722    2.5908    1.8220 H   0  0  0  0  0
   11.0901    5.1092    3.5333 H   0  0  0  0  0
    9.2710    1.2787    6.1928 H   0  0  0  0  0
    8.5380    1.6302    3.8711 H   0  0  0  0  0
   12.7769    4.7344    7.9977 H   0  0  0  0  0
   10.5818    1.6394    8.3608 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  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>
BDBM50387908

>  <PubChem CID>
91929707

>  <Formula>
C21H28N4O3

>  <Molecular Weight>
384.480000

>  <IUPAC Name>
6-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propylamino]-1-benzofuran-3-ol

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)C1=NOC(=N1)N2CCC(CC2)CCCNC3=CC4=C(C=C3)C(=CO4)O

>  <Isomeric SMILES>
CC(C)C1=NOC(=N1)N2CCC(CC2)CCCNC3=CC4=C(C=C3)C(=CO4)O

>  <InChI Std. ID>
InChI=1S/C21H28N4O3/c1-14(2)20-23-21(28-24-20)25-10-7-15(8-11-25)4-3-9-22-16-5-6-17-18(26)13-27-19(17)12-16/h5-6,12-15,22,26H,3-4,7-11H2,1-2H3

>  <InChI Key>
AMWYMLAYBOISQB-UHFFFAOYSA-N

