
 CHEMBL2163965

 50 54  0  0  0  0  0  0  0  0999 V2000
    4.3208   -2.6482    3.2209 C   0  0  0  0  0
    3.0692   -1.7888    3.1714 C   0  0  0  0  0
    3.2195   -1.0511    1.8513 C   0  0  0  0  0
    4.7081   -0.6979    1.7946 C   0  0  0  0  0
    5.4194   -1.7525    2.6561 C   0  0  0  0  0
    5.2100   -0.6716    0.4385 N   0  0  0  0  0
    5.0954    0.4273   -0.3762 C   0  0  0  0  0
    4.6079    1.4909   -0.0035 O   0  0  0  0  0
    5.6362    0.2463   -1.7551 C   0  0  0  0  0
    5.6191    1.2911   -2.5983 C   0  0  0  0  0
    6.1045    1.3020   -3.8995 N   0  0  0  0  0
    6.1482    2.5032   -4.7684 C   0  0  0  0  0
    6.4906    2.1254   -6.2236 C   0  0  0  0  0
    7.6980    1.3638   -6.3263 O   0  0  0  0  0
    7.6380    0.2508   -5.5243 C   0  0  0  0  0
    8.4119   -0.8392   -5.9300 C   0  0  0  0  0
    8.4255   -2.0085   -5.1718 C   0  0  0  0  0
    7.6925   -2.0740   -3.9889 C   0  0  0  0  0
    6.9445   -0.9651   -3.5691 C   0  0  0  0  0
    6.8870    0.2100   -4.3383 C   0  0  0  0  0
    6.2324   -1.0150   -2.2681 C   0  0  0  0  0
    6.1760   -2.0634   -1.6285 O   0  0  0  0  0
    4.8172    3.2497   -4.7467 C   0  0  0  0  0
    3.6245    2.6158   -5.1414 C   0  0  0  0  0
    2.4100    3.3007   -5.1172 C   0  0  0  0  0
    2.3679    4.6250   -4.6903 C   0  0  0  0  0
    3.5390    5.2648   -4.2876 C   0  0  0  0  0
    4.7581    4.5838   -4.3166 C   0  0  0  0  0
    4.5493   -2.9956    4.2327 H   0  0  0  0  0
    4.1955   -3.5299    2.5811 H   0  0  0  0  0
    3.0609   -1.0788    4.0068 H   0  0  0  0  0
    2.1532   -2.3844    3.2152 H   0  0  0  0  0
    2.9389   -1.7112    1.0206 H   0  0  0  0  0
    2.5822   -0.1629    1.7985 H   0  0  0  0  0
    4.8638    0.2928    2.2399 H   0  0  0  0  0
    6.1608   -2.3408    2.1046 H   0  0  0  0  0
    5.9488   -1.2536    3.4767 H   0  0  0  0  0
    5.5248   -1.5457    0.0146 H   0  0  0  0  0
    5.1986    2.2435   -2.2784 H   0  0  0  0  0
    6.9489    3.1500   -4.3840 H   0  0  0  0  0
    6.6327    3.0358   -6.8185 H   0  0  0  0  0
    5.6884    1.5569   -6.7131 H   0  0  0  0  0
    8.9946   -0.7785   -6.8458 H   0  0  0  0  0
    9.0150   -2.8625   -5.4961 H   0  0  0  0  0
    7.7176   -2.9803   -3.3873 H   0  0  0  0  0
    3.6331    1.5734   -5.4551 H   0  0  0  0  0
    1.4961    2.7966   -5.4210 H   0  0  0  0  0
    1.4197    5.1556   -4.6615 H   0  0  0  0  0
    3.5000    6.2949   -3.9420 H   0  0  0  0  0
    5.6567    5.1013   -3.9874 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 35  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 23  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2163965

>  <PubChem CID>
60195491

>  <Formula>
C23H22N2O3

>  <Molecular Weight>
374.440000

>  <IUPAC Name>


>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(C1)NC(=O)C2=CN3C(COC4=CC=CC(=C43)C2=O)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CCC(C1)NC(=O)C2=CN3C(COC4=CC=CC(=C43)C2=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C23H22N2O3/c26-22-17-11-6-12-20-21(17)25(19(14-28-20)15-7-2-1-3-8-15)13-18(22)23(27)24-16-9-4-5-10-16/h1-3,6-8,11-13,16,19H,4-5,9-10,14H2,(H,24,27)

>  <InChI Key>
FKTORJCFBBTXPW-UHFFFAOYSA-N

