
 CHEMBL2163928

 63 68  0  0  0  0  0  0  0  0999 V2000
    1.6536    2.5674   -2.7976 C   0  0  0  0  0
    2.7192    2.9777   -1.7765 C   0  0  0  0  0
    2.0565    3.2910   -0.4354 C   0  0  0  0  0
    3.7770    1.8641   -1.6616 C   0  0  0  0  0
    4.9540    2.1478   -0.6978 C   0  0  0  0  0
    5.7574    3.4110   -1.0448 C   0  0  0  0  0
    6.3481    3.3371   -2.3493 O   0  0  0  0  0
    7.0613    2.1724   -2.5179 C   0  0  0  0  0
    7.9938    2.1681   -3.5565 C   0  0  0  0  0
    8.7673    1.0327   -3.7959 C   0  0  0  0  0
    8.6061   -0.0997   -2.9979 C   0  0  0  0  0
    7.6554   -0.0993   -1.9684 C   0  0  0  0  0
    6.8577    1.0294   -1.7237 C   0  0  0  0  0
    5.8737    0.9921   -0.7101 N   0  0  0  0  0
    5.6814   -0.1660    0.0180 C   0  0  0  0  0
    6.3890   -1.3014   -0.1074 C   0  0  0  0  0
    7.4664   -1.3145   -1.1355 C   0  0  0  0  0
    8.1791   -2.3019   -1.3067 O   0  0  0  0  0
    6.0308   -2.4596    0.7649 C   0  0  0  0  0
    5.1209   -2.3818    1.5848 O   0  0  0  0  0
    6.7880   -3.5876    0.5684 N   0  0  0  0  0
    6.6416   -4.8553    1.2859 C   0  0  0  0  0
    6.8893   -4.6851    2.8049 C   0  0  0  0  0
    6.7836   -6.0411    3.5256 C   0  0  0  0  0
    7.8381   -7.0031    2.9559 C   0  0  0  0  0
    7.6029   -7.2081    1.4513 C   0  0  0  0  0
    7.6995   -5.8508    0.7375 C   0  0  0  0  0
    6.2002   -7.7948    1.2295 C   0  0  0  0  0
    5.1366   -6.8369    1.7888 C   0  0  0  0  0
    5.3817   -6.6303    3.2933 C   0  0  0  0  0
    5.2418   -5.4813    1.0672 C   0  0  0  0  0
    2.1062    2.3794   -3.7772 H   0  0  0  0  0
    0.9078    3.3594   -2.9226 H   0  0  0  0  0
    1.1321    1.6564   -2.4846 H   0  0  0  0  0
    3.1934    3.8918   -2.1518 H   0  0  0  0  0
    1.6249    2.3902    0.0139 H   0  0  0  0  0
    1.2523    4.0239   -0.5611 H   0  0  0  0  0
    2.7738    3.7160    0.2731 H   0  0  0  0  0
    4.1665    1.6517   -2.6661 H   0  0  0  0  0
    3.2804    0.9377   -1.3413 H   0  0  0  0  0
    4.5648    2.2676    0.3207 H   0  0  0  0  0
    6.5557    3.5814   -0.3090 H   0  0  0  0  0
    5.1197    4.3000   -1.0207 H   0  0  0  0  0
    8.1210    3.0539   -4.1735 H   0  0  0  0  0
    9.4958    1.0312   -4.6032 H   0  0  0  0  0
    9.2125   -0.9833   -3.1862 H   0  0  0  0  0
    4.8670   -0.0943    0.7371 H   0  0  0  0  0
    7.5242   -3.5287   -0.1362 H   0  0  0  0  0
    6.1639   -3.9901    3.2445 H   0  0  0  0  0
    7.8800   -4.2457    2.9792 H   0  0  0  0  0
    6.9528   -5.9022    4.5992 H   0  0  0  0  0
    8.8441   -6.6004    3.1269 H   0  0  0  0  0
    7.7878   -7.9665    3.4778 H   0  0  0  0  0
    8.3580   -7.8926    1.0488 H   0  0  0  0  0
    8.7089   -5.4370    0.8652 H   0  0  0  0  0
    7.5613   -5.9907   -0.3432 H   0  0  0  0  0
    6.1207   -8.7721    1.7213 H   0  0  0  0  0
    6.0283   -7.9622    0.1591 H   0  0  0  0  0
    4.1387   -7.2617    1.6320 H   0  0  0  0  0
    4.6196   -5.9597    3.7087 H   0  0  0  0  0
    5.2863   -7.5868    3.8222 H   0  0  0  0  0
    5.0505   -5.6134   -0.0058 H   0  0  0  0  0
    4.4529   -4.8172    1.4396 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
 10 11  2  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  1  0  0  0
 22 27  1  0  0  0
 22 31  1  0  0  0
 23 24  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 24 30  1  0  0  0
 24 51  1  0  0  0
 25 26  1  0  0  0
 25 52  1  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 26 28  1  0  0  0
 26 54  1  0  0  0
 27 55  1  0  0  0
 27 56  1  0  0  0
 28 29  1  0  0  0
 28 57  1  0  0  0
 28 58  1  0  0  0
 29 30  1  0  0  0
 29 31  1  0  0  0
 29 59  1  0  0  0
 30 60  1  0  0  0
 30 61  1  0  0  0
 31 62  1  0  0  0
 31 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2163928

>  <PubChem CID>
60196095

>  <Formula>
C26H32N2O3

>  <Molecular Weight>
420.553000

>  <IUPAC Name>


>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CC1COC2=CC=CC3=C2N1C=C(C3=O)C(=O)NC45CC6CC(C4)CC(C6)C5

>  <Isomeric SMILES>
CC(C)C[C@@H]1COC2=CC=CC3=C2N1C=C(C3=O)C(=O)NC45CC6CC(C4)CC(C6)C5

>  <InChI Std. ID>
InChI=1S/C26H32N2O3/c1-15(2)6-19-14-31-22-5-3-4-20-23(22)28(19)13-21(24(20)29)25(30)27-26-10-16-7-17(11-26)9-18(8-16)12-26/h3-5,13,15-19H,6-12,14H2,1-2H3,(H,27,30)/t16?,17?,18?,19-,26?/m1/s1

>  <InChI Key>
CYYSZAZPIWBLCE-JPGHVHQMSA-N

