
 CHEMBL3329446

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.8088    0.8618    0.9777 C   0  0  0  0  0
    2.7451   -0.4620    1.5840 N   0  0  0  0  0
    2.0146   -0.4396    2.8511 C   0  0  0  0  0
    1.7662   -1.9125    3.1006 C   0  0  0  0  0
    1.4567   -2.4662    1.7194 C   0  0  0  0  0
    2.0660   -1.4593    0.7275 C   0  0  0  0  0
    3.0500   -2.1110   -0.2649 C   0  0  0  0  0
    2.4231   -3.1403   -1.1601 C   0  0  0  0  0
    2.7100   -4.4918   -1.1691 C   0  0  0  0  0
    1.9314   -5.0935   -2.1176 N   0  0  0  0  0
    1.1347   -4.1615   -2.7394 C   0  0  0  0  0
    1.4325   -2.9239   -2.1729 C   0  0  0  0  0
    0.7576   -1.7797   -2.6571 C   0  0  0  0  0
   -0.2051   -1.9119   -3.6639 C   0  0  0  0  0
   -0.4761   -3.1718   -4.1997 C   0  0  0  0  0
    0.1871   -4.3201   -3.7545 C   0  0  0  0  0
   -0.9382   -0.8957   -4.2147 O   0  0  0  0  0
   -0.8255    0.4232   -3.6648 C   0  0  0  0  0
    0.3344    1.1809   -4.3257 C   0  0  0  0  0
    0.0890    1.4362   -5.8132 C   0  0  0  0  0
   -1.2340    2.1583   -6.0466 C   0  0  0  0  0
   -2.4003    1.4086   -5.4122 C   0  0  0  0  0
   -2.1566    1.1443   -3.9266 C   0  0  0  0  0
    3.3700    0.8362    0.0378 H   0  0  0  0  0
    3.3359    1.5579    1.6402 H   0  0  0  0  0
    1.8139    1.2742    0.7711 H   0  0  0  0  0
    1.0601    0.0958    2.7662 H   0  0  0  0  0
    2.6033    0.0104    3.6569 H   0  0  0  0  0
    2.6701   -2.3904    3.4973 H   0  0  0  0  0
    0.9512   -2.0868    3.8091 H   0  0  0  0  0
    1.8466   -3.4830    1.6208 H   0  0  0  0  0
    0.3706   -2.5087    1.5747 H   0  0  0  0  0
    1.2369   -0.9876    0.1827 H   0  0  0  0  0
    3.8785   -2.5708    0.2905 H   0  0  0  0  0
    3.5013   -1.3401   -0.9025 H   0  0  0  0  0
    3.4040   -5.0741   -0.5756 H   0  0  0  0  0
    1.9368   -6.0803   -2.3372 H   0  0  0  0  0
    1.0152   -0.8195   -2.2318 H   0  0  0  0  0
   -1.2228   -3.2645   -4.9865 H   0  0  0  0  0
   -0.0330   -5.2912   -4.1848 H   0  0  0  0  0
   -0.6988    0.3859   -2.5767 H   0  0  0  0  0
    1.2696    0.6200   -4.2252 H   0  0  0  0  0
    0.4761    2.1407   -3.8144 H   0  0  0  0  0
    0.9109    2.0347   -6.2225 H   0  0  0  0  0
    0.0883    0.4838   -6.3576 H   0  0  0  0  0
   -1.1767    3.1687   -5.6238 H   0  0  0  0  0
   -1.4087    2.2717   -7.1222 H   0  0  0  0  0
   -3.3209    1.9903   -5.5341 H   0  0  0  0  0
   -2.5541    0.4579   -5.9371 H   0  0  0  0  0
   -2.1633    2.0990   -3.3859 H   0  0  0  0  0
   -2.9864    0.5418   -3.5382 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
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 21 22  1  0  0  0
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 23 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3329446

>  <PubChem CID>
70301391

>  <Formula>
C20H28N2O

>  <Molecular Weight>
312.457000

>  <IUPAC Name>
5-cyclohexyloxy-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCCC1CC2=CNC3=C2C=C(C=C3)OC4CCCCC4

>  <Isomeric SMILES>
CN1CCCC1CC2=CNC3=C2C=C(C=C3)OC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C20H28N2O/c1-22-11-5-6-16(22)12-15-14-21-20-10-9-18(13-19(15)20)23-17-7-3-2-4-8-17/h9-10,13-14,16-17,21H,2-8,11-12H2,1H3

>  <InChI Key>
AAAHKMSAPZHJEC-UHFFFAOYSA-N

