
 CHEMBL555513

 60 65  0  0  0  0  0  0  0  0999 V2000
    1.0206    1.4096    0.3108 C   0  0  0  0  0
   -0.4821    1.2575    0.0517 C   0  0  0  0  0
   -0.8723   -0.1435   -0.2171 N   0  0  0  0  0
   -0.3209   -1.0714    0.7929 C   0  0  0  0  0
    1.1663   -0.8732    1.0795 C   0  0  0  0  0
    1.4626    0.5773    1.5376 C   0  0  0  0  0
    0.8136    0.9582    2.8369 N   0  0  0  0  0
    0.8875    0.0969    3.9771 C   0  0  0  0  0
   -0.0618    0.2978    4.9838 C   0  0  0  0  0
   -1.0520    1.3851    4.7633 C   0  0  0  0  0
   -0.3812    2.5015    4.1855 O   0  0  0  0  0
    0.3863    2.2811    3.0757 C   0  0  0  0  0
    0.6600    3.2399    2.3624 O   0  0  0  0  0
   -0.0986   -0.5224    6.1180 C   0  0  0  0  0
    0.8521   -1.5253    6.2674 C   0  0  0  0  0
    1.8370   -1.7053    5.2998 C   0  0  0  0  0
    1.8592   -0.8902    4.1614 C   0  0  0  0  0
    0.8204   -2.5331    7.6597 Cl  0  0  0  0  0
   -2.3581   -0.2906   -0.1634 C   0  0  0  0  0
   -3.1113    0.5560   -1.1874 C   0  0  0  0  0
   -4.1992    1.0468   -0.8949 O   0  0  0  0  0
   -2.4909    0.6040   -2.4212 N   0  0  0  0  0
   -2.9665    1.2181   -3.5958 C   0  0  0  0  0
   -2.1912    1.0766   -4.7504 C   0  0  0  0  0
   -2.6850    1.6295   -5.9169 C   0  0  0  0  0
   -3.9004    2.3234   -5.9967 C   0  0  0  0  0
   -4.6550    2.4922   -4.8556 C   0  0  0  0  0
   -4.1819    1.9350   -3.6571 C   0  0  0  0  0
   -4.1371    2.7242   -7.3655 C   0  0  0  0  0
   -5.1947    3.3994   -7.9486 C   0  0  0  0  0
   -5.1584    3.6192   -9.3320 C   0  0  0  0  0
   -4.0763    3.1690  -10.1137 C   0  0  0  0  0
   -3.0066    2.4913   -9.5274 C   0  0  0  0  0
   -3.0664    2.2878   -8.1628 C   0  0  0  0  0
   -2.1095    1.5871   -7.2790 C   0  0  0  0  0
   -1.0608    1.0716   -7.6041 O   0  0  0  0  0
    1.5714    1.0673   -0.5776 H   0  0  0  0  0
    1.2935    2.4634    0.3974 H   0  0  0  0  0
   -0.7255    1.8766   -0.8189 H   0  0  0  0  0
   -1.0543    1.6612    0.8943 H   0  0  0  0  0
   -0.8711   -0.9901    1.7394 H   0  0  0  0  0
   -0.4625   -2.0986    0.4336 H   0  0  0  0  0
    1.4842   -1.6311    1.7959 H   0  0  0  0  0
    1.7415   -1.0907    0.1685 H   0  0  0  0  0
    2.5423    0.7101    1.6778 H   0  0  0  0  0
   -1.8674    1.0604    4.1066 H   0  0  0  0  0
   -1.4860    1.7221    5.7101 H   0  0  0  0  0
   -0.8581   -0.3716    6.8816 H   0  0  0  0  0
    2.5980   -2.4708    5.4290 H   0  0  0  0  0
    2.6751   -1.0224    3.4572 H   0  0  0  0  0
   -2.7354   -0.0237    0.8322 H   0  0  0  0  0
   -2.6317   -1.3340   -0.3644 H   0  0  0  0  0
   -1.5827    0.1471   -2.4541 H   0  0  0  0  0
   -1.2497    0.5381   -4.7598 H   0  0  0  0  0
   -5.5989    3.0272   -4.8681 H   0  0  0  0  0
   -4.7990    2.0755   -2.7735 H   0  0  0  0  0
   -6.0390    3.7458   -7.3616 H   0  0  0  0  0
   -5.9834    4.1418   -9.8135 H   0  0  0  0  0
   -4.0782    3.3489  -11.1864 H   0  0  0  0  0
   -2.1667    2.1318  -10.1118 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5  6  1  0  0  0
  5 43  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 45  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8 17  1  0  0  0
  8  9  2  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 48  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 49  1  0  0  0
 17 50  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 25 26  2  0  0  0
 25 35  1  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 55  1  0  0  0
 28 56  1  0  0  0
 29 34  1  0  0  0
 29 30  2  0  0  0
 30 31  1  0  0  0
 30 57  1  0  0  0
 31 32  2  0  0  0
 31 58  1  0  0  0
 32 33  1  0  0  0
 32 59  1  0  0  0
 33 34  2  0  0  0
 33 60  1  0  0  0
 34 35  1  0  0  0
 35 36  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL555513

>  <PubChem CID>
10324940

>  <Formula>
C28H24ClN3O4

>  <Molecular Weight>
501.967000

>  <IUPAC Name>
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-2-yl)acetamide

>  <XlogP>
4.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O

>  <InChI Std. ID>
InChI=1S/C28H24ClN3O4/c29-18-5-8-25-17(13-18)16-36-28(35)32(25)20-9-11-31(12-10-20)15-26(33)30-19-6-7-22-21-3-1-2-4-23(21)27(34)24(22)14-19/h1-8,13-14,20H,9-12,15-16H2,(H,30,33)

>  <InChI Key>
IAZVREASUYGGEV-UHFFFAOYSA-N

