
 CHEMBL365777

 63 68  0  0  0  0  0  0  0  0999 V2000
    3.3281    2.3304    3.0324 C   0  0  0  0  0
    3.5585    1.6467    1.8073 O   0  0  0  0  0
    3.4717    2.3672    0.6441 C   0  0  0  0  0
    2.8490    3.6251    0.5813 C   0  0  0  0  0
    2.8769    4.3832   -0.5891 C   0  0  0  0  0
    3.5480    3.9035   -1.7042 C   0  0  0  0  0
    4.1596    2.6468   -1.6547 C   0  0  0  0  0
    4.0790    1.8335   -0.5144 C   0  0  0  0  0
    4.6963    0.5305   -0.6412 N   0  0  0  0  0
    5.9058    0.4956   -1.3651 C   0  0  0  0  0
    6.8091   -0.3116   -1.1916 O   0  0  0  0  0
    6.0762    1.4480   -2.3326 O   0  0  0  0  0
    4.9051    2.0963   -2.8182 C   0  0  0  0  0
    4.3124   -0.5966    0.2653 C   0  0  0  0  0
    2.7748   -0.7964    0.4087 C   0  0  0  0  0
    2.1340   -1.4366   -0.8240 C   0  0  0  0  0
    2.7628   -2.7282   -1.1071 N   0  0  0  0  0
    4.1887   -2.5635   -1.3809 C   0  0  0  0  0
    4.8571   -1.9997   -0.1252 C   0  0  0  0  0
    2.0361   -3.5197   -2.1119 C   0  0  0  0  0
    1.8907   -2.8317   -3.4743 C   0  0  0  0  0
    1.0553   -1.9468   -3.6454 O   0  0  0  0  0
    2.7623   -3.3303   -4.4321 N   0  0  0  0  0
    2.8274   -2.9696   -5.7962 C   0  0  0  0  0
    3.7144   -3.7029   -6.6089 C   0  0  0  0  0
    3.7876   -3.4198   -7.9898 C   0  0  0  0  0
    2.9865   -2.4039   -8.4961 C   0  0  0  0  0
    2.1168   -1.6427   -7.7260 C   0  0  0  0  0
    2.0522   -1.9505   -6.3612 C   0  0  0  0  0
    3.1696   -2.2659   -9.8358 O   0  0  0  0  0
    4.0887   -3.1967  -10.2077 C   0  0  0  0  0
    4.5488   -3.3922  -11.5078 C   0  0  0  0  0
    5.4971   -4.4030  -11.6892 C   0  0  0  0  0
    5.9504   -5.1685  -10.6118 C   0  0  0  0  0
    5.4669   -4.9492   -9.3127 C   0  0  0  0  0
    4.5103   -3.9365   -9.1071 C   0  0  0  0  0
    3.5292    1.6278    3.8467 H   0  0  0  0  0
    2.2839    2.6451    3.1244 H   0  0  0  0  0
    4.0117    3.1785    3.1437 H   0  0  0  0  0
    2.3340    4.0501    1.4369 H   0  0  0  0  0
    2.3946    5.3572   -0.6193 H   0  0  0  0  0
    3.5985    4.5112   -2.6049 H   0  0  0  0  0
    4.2973    1.3904   -3.3950 H   0  0  0  0  0
    5.2350    2.8963   -3.4888 H   0  0  0  0  0
    4.7520   -0.3586    1.2412 H   0  0  0  0  0
    2.2249    0.1215    0.6148 H   0  0  0  0  0
    2.5939   -1.4476    1.2757 H   0  0  0  0  0
    1.0670   -1.5805   -0.6136 H   0  0  0  0  0
    2.2127   -0.7482   -1.6740 H   0  0  0  0  0
    4.6412   -3.5371   -1.6028 H   0  0  0  0  0
    4.3657   -1.9150   -2.2476 H   0  0  0  0  0
    4.6553   -2.6866    0.7102 H   0  0  0  0  0
    5.9416   -2.0341   -0.2281 H   0  0  0  0  0
    1.0236   -3.7374   -1.7478 H   0  0  0  0  0
    2.5117   -4.5010   -2.2282 H   0  0  0  0  0
    3.3952   -4.0620   -4.1333 H   0  0  0  0  0
    4.3289   -4.4976   -6.1986 H   0  0  0  0  0
    1.5123   -0.8577   -8.1635 H   0  0  0  0  0
    1.3686   -1.3574   -5.7611 H   0  0  0  0  0
    4.1840   -2.7891  -12.3301 H   0  0  0  0  0
    5.8868   -4.5943  -12.6870 H   0  0  0  0  0
    6.6899   -5.9482  -10.7829 H   0  0  0  0  0
    5.8268   -5.5533   -8.4856 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  5  6  2  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 15 47  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 16 49  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 19 52  1  0  0  0
 19 53  1  0  0  0
 20 21  1  0  0  0
 20 54  1  0  0  0
 20 55  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 56  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 57  1  0  0  0
 26 27  2  0  0  0
 26 36  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 58  1  0  0  0
 29 59  1  0  0  0
 30 31  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 60  1  0  0  0
 33 34  2  0  0  0
 33 61  1  0  0  0
 34 35  1  0  0  0
 34 62  1  0  0  0
 35 36  2  0  0  0
 35 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL365777

>  <PubChem CID>
10254802

>  <Formula>
C28H27N3O5

>  <Molecular Weight>
485.540000

>  <IUPAC Name>
N-dibenzofuran-2-yl-2-[4-(8-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)OC6=CC=CC=C65

>  <Isomeric SMILES>
COC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)OC6=CC=CC=C65

>  <InChI Std. ID>
InChI=1S/C28H27N3O5/c1-34-25-8-4-5-18-17-35-28(33)31(27(18)25)20-11-13-30(14-12-20)16-26(32)29-19-9-10-24-22(15-19)21-6-2-3-7-23(21)36-24/h2-10,15,20H,11-14,16-17H2,1H3,(H,29,32)

>  <InChI Key>
FONJRDNACJFLRG-UHFFFAOYSA-N

