
 CHEMBL184562

 60 63  0  0  0  0  0  0  0  0999 V2000
    5.0035   -1.3188   -5.1867 C   0  0  0  0  0
    4.9135   -2.1425   -3.9032 C   0  0  0  0  0
    5.3912   -3.5706   -4.1641 C   0  0  0  0  0
    5.7244   -1.4966   -2.7805 C   0  0  0  0  0
    6.6830   -2.0438   -2.2459 O   0  0  0  0  0
    5.2706   -0.2489   -2.4064 N   0  0  0  0  0
    5.9132    0.5215   -1.3673 C   0  0  0  0  0
    6.3945    1.8177   -1.9363 C   0  0  0  0  0
    5.7232    3.1196   -1.5971 C   0  0  0  0  0
    7.0859    2.8084   -1.0170 C   0  0  0  0  0
    8.2987    3.5559   -1.4948 C   0  0  0  0  0
    9.4404    2.8204   -1.8901 C   0  0  0  0  0
    9.7866    1.4421   -1.9898 C   0  0  0  0  0
   11.0620    1.3890   -2.5077 C   0  0  0  0  0
   11.5500    2.6480   -2.6887 O   0  0  0  0  0
   10.5638    3.5133   -2.3298 C   0  0  0  0  0
   10.6568    4.9001   -2.4040 C   0  0  0  0  0
    9.5320    5.6197   -2.0010 C   0  0  0  0  0
    8.3825    4.9635   -1.5519 C   0  0  0  0  0
   11.9430    0.2755   -2.9363 C   0  0  0  0  0
   11.6803   -0.1370   -4.3886 C   0  0  0  0  0
   11.9980    0.9820   -5.3922 C   0  0  0  0  0
   11.8257    0.5570   -6.8560 C   0  0  0  0  0
   12.7207   -0.5539   -7.3511 C   0  0  0  0  0
   12.2442   -1.4147   -8.3511 C   0  0  0  0  0
   13.0423   -2.4483   -8.8440 C   0  0  0  0  0
   14.3297   -2.6307   -8.3497 C   0  0  0  0  0
   14.8266   -1.7689   -7.3743 C   0  0  0  0  0
   14.0325   -0.7289   -6.8888 C   0  0  0  0  0
    4.5667   -0.3238   -5.0564 H   0  0  0  0  0
    4.4656   -1.8099   -6.0043 H   0  0  0  0  0
    6.0462   -1.1819   -5.4959 H   0  0  0  0  0
    3.8687   -2.1862   -3.5746 H   0  0  0  0  0
    6.4376   -3.5889   -4.4910 H   0  0  0  0  0
    4.7852   -4.0508   -4.9395 H   0  0  0  0  0
    5.3180   -4.1795   -3.2558 H   0  0  0  0  0
    4.4532    0.1434   -2.8530 H   0  0  0  0  0
    6.7528   -0.0318   -0.9378 H   0  0  0  0  0
    5.1713    0.6793   -0.5779 H   0  0  0  0  0
    6.8081    1.6997   -2.9330 H   0  0  0  0  0
    4.8785    3.1149   -0.9173 H   0  0  0  0  0
    5.6451    3.8610   -2.3843 H   0  0  0  0  0
    7.1001    2.5574    0.0432 H   0  0  0  0  0
    9.1661    0.5886   -1.7557 H   0  0  0  0  0
   11.5571    5.3849   -2.7626 H   0  0  0  0  0
    9.5516    6.7061   -2.0382 H   0  0  0  0  0
    7.5250    5.5565   -1.2411 H   0  0  0  0  0
   11.7719   -0.5894   -2.2834 H   0  0  0  0  0
   12.9955    0.5585   -2.8119 H   0  0  0  0  0
   10.6341   -0.4460   -4.5083 H   0  0  0  0  0
   12.2954   -1.0186   -4.6008 H   0  0  0  0  0
   13.0093    1.3669   -5.2190 H   0  0  0  0  0
   11.3163    1.8247   -5.2218 H   0  0  0  0  0
   12.0003    1.4316   -7.4955 H   0  0  0  0  0
   10.7771    0.2671   -6.9998 H   0  0  0  0  0
   11.2413   -1.2869   -8.7526 H   0  0  0  0  0
   12.6568   -3.1118   -9.6139 H   0  0  0  0  0
   14.9504   -3.4395   -8.7262 H   0  0  0  0  0
   15.8357   -1.9042   -6.9908 H   0  0  0  0  0
   14.4538   -0.0660   -6.1376 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
 10 43  1  0  0  0
 11 19  1  0  0  0
 11 12  2  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 23  1  0  0  0
 22 52  1  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 23 55  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 57  1  0  0  0
 27 28  1  0  0  0
 27 58  1  0  0  0
 28 29  2  0  0  0
 28 59  1  0  0  0
 29 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL184562

>  <PubChem CID>
44394416

>  <Formula>
C26H31NO2

>  <Molecular Weight>
389.539000

>  <IUPAC Name>
2-methyl-N-[[(1R)-2-[2-(4-phenylbutyl)-1-benzofuran-4-yl]cyclopropyl]methyl]propanamide

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)C(=O)NCC1CC1C2=C3C=C(OC3=CC=C2)CCCCC4=CC=CC=C4

>  <Isomeric SMILES>
CC(C)C(=O)NC[C@@H]1CC1C2=C3C=C(OC3=CC=C2)CCCCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H31NO2/c1-18(2)26(28)27-17-20-15-23(20)22-13-8-14-25-24(22)16-21(29-25)12-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,13-14,16,18,20,23H,6-7,11-12,15,17H2,1-2H3,(H,27,28)/t20-,23?/m0/s1

>  <InChI Key>
AHGFMBBXRSYTSB-AJZOCDQUSA-N

