
 CHEMBL243003

 55 58  0  0  0  0  0  0  0  0999 V2000
    2.4738   -0.4255   -3.0517 C   0  0  0  0  0
    3.9116   -0.0324   -2.7579 C   0  0  0  0  0
    4.0207    0.7892   -1.4757 C   0  0  0  0  0
    5.4499    1.2238   -1.2151 C   0  0  0  0  0
    6.4253    0.6332   -1.6665 O   0  0  0  0  0
    5.5408    2.3339   -0.4056 N   0  0  0  0  0
    6.8252    2.8667    0.0190 C   0  0  0  0  0
    6.8502    4.4274    0.1316 C   0  0  0  0  0
    6.5513    4.9993   -1.2927 C   0  0  0  0  0
    6.8990    6.4783   -1.4853 C   0  0  0  0  0
    8.3262    6.7867   -1.0605 C   0  0  0  0  0
    8.5753    6.3376    0.3718 C   0  0  0  0  0
    8.2960    4.8443    0.5338 C   0  0  0  0  0
    5.8288    4.8880    1.1942 C   0  0  0  0  0
    4.7253    5.7175    0.9973 C   0  0  0  0  0
    4.0908    5.8821    2.1885 N   0  0  0  0  0
    2.9296    6.6952    2.5126 C   0  0  0  0  0
    2.1706    6.1330    3.7324 C   0  0  0  0  0
    3.0915    5.8223    4.9356 C   0  0  0  0  0
    4.2941    5.0409    4.4909 C   0  0  0  0  0
    5.0852    4.2483    5.3222 C   0  0  0  0  0
    6.2051    3.5868    4.8129 C   0  0  0  0  0
    6.5724    3.7075    3.4601 C   0  0  0  0  0
    5.8002    4.5137    2.5966 C   0  0  0  0  0
    4.7046    5.1436    3.1596 C   0  0  0  0  0
    2.4197   -0.9904   -3.9878 H   0  0  0  0  0
    1.8373    0.4594   -3.1524 H   0  0  0  0  0
    2.0683   -1.0529   -2.2516 H   0  0  0  0  0
    4.3072    0.5463   -3.6015 H   0  0  0  0  0
    4.5255   -0.9376   -2.6814 H   0  0  0  0  0
    3.6872    0.1974   -0.6155 H   0  0  0  0  0
    3.3815    1.6767   -1.5484 H   0  0  0  0  0
    4.7184    2.6506    0.0947 H   0  0  0  0  0
    7.5973    2.5335   -0.6854 H   0  0  0  0  0
    7.0559    2.3876    0.9752 H   0  0  0  0  0
    5.5002    4.8430   -1.5663 H   0  0  0  0  0
    7.1375    4.4332   -2.0304 H   0  0  0  0  0
    6.7679    6.7440   -2.5410 H   0  0  0  0  0
    6.2107    7.1149   -0.9207 H   0  0  0  0  0
    9.0277    6.2790   -1.7342 H   0  0  0  0  0
    8.5170    7.8615   -1.1532 H   0  0  0  0  0
    9.6184    6.5425    0.6390 H   0  0  0  0  0
    7.9508    6.9178    1.0610 H   0  0  0  0  0
    9.0165    4.3001   -0.0924 H   0  0  0  0  0
    8.5225    4.5565    1.5653 H   0  0  0  0  0
    4.3545    6.2108    0.1091 H   0  0  0  0  0
    3.3020    7.7047    2.7192 H   0  0  0  0  0
    2.2788    6.7257    1.6331 H   0  0  0  0  0
    1.3858    6.8341    4.0380 H   0  0  0  0  0
    1.6677    5.2043    3.4300 H   0  0  0  0  0
    3.4282    6.7574    5.3977 H   0  0  0  0  0
    2.5265    5.2564    5.6845 H   0  0  0  0  0
    4.8325    4.1398    6.3740 H   0  0  0  0  0
    6.8085    2.9679    5.4733 H   0  0  0  0  0
    7.4501    3.1793    3.1028 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  6  1  0  0  0
  4  5  2  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 13  1  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 12 43  1  0  0  0
 13 44  1  0  0  0
 13 45  1  0  0  0
 14 15  2  0  0  0
 14 24  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  1  0  0  0
 16 25  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 18 50  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 22 23  2  0  0  0
 22 54  1  0  0  0
 23 24  1  0  0  0
 23 55  1  0  0  0
 24 25  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL243003

>  <PubChem CID>
16743288

>  <Formula>
C22H30N2O

>  <Molecular Weight>
338.495000

>  <IUPAC Name>


>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCC(=O)NCC1(CCCCC1)C2=CN3CCCC4=CC=CC2=C43

>  <Isomeric SMILES>
CCCC(=O)NCC1(CCCCC1)C2=CN3CCCC4=CC=CC2=C43

>  <InChI Std. ID>
InChI=1S/C22H30N2O/c1-2-8-20(25)23-16-22(12-4-3-5-13-22)19-15-24-14-7-10-17-9-6-11-18(19)21(17)24/h6,9,11,15H,2-5,7-8,10,12-14,16H2,1H3,(H,23,25)

>  <InChI Key>
IQUVSIBCTHRJMK-UHFFFAOYSA-N

