
 CHEMBL538823

 65 69  0  0  0  0  0  0  0  0999 V2000
    1.9021    3.1403   -0.6517 C   0  0  0  0  0
    3.0677    2.3309   -0.1654 C   0  0  0  0  0
    2.9678    0.9399   -0.0948 C   0  0  0  0  0
    4.0493    0.1673    0.3554 C   0  0  0  0  0
    5.2698    0.7759    0.7143 C   0  0  0  0  0
    5.3363    2.1943    0.6741 C   0  0  0  0  0
    4.2516    2.9541    0.2344 C   0  0  0  0  0
    6.3922   -0.0433    1.1384 N   0  0  0  0  0
    6.1438   -1.3857    1.3640 C   0  0  0  0  0
    6.9730   -2.1087    1.8804 O   0  0  0  0  0
    4.9550   -1.9481    1.0316 O   0  0  0  0  0
    3.8719   -1.3110    0.4689 C   0  0  0  0  0
    7.7300    0.6020    1.3415 C   0  0  0  0  0
    8.9164   -0.2552    1.8754 C   0  0  0  0  0
    9.4958   -1.2386    0.8268 C   0  0  0  0  0
    9.8883   -0.5392   -0.4171 N   0  0  0  0  0
    8.7354    0.1911   -0.9747 C   0  0  0  0  0
    8.2571    1.2471    0.0211 C   0  0  0  0  0
   10.3910   -1.5077   -1.4145 C   0  0  0  0  0
   11.7046   -2.0974   -0.9687 C   0  0  0  0  0
   12.6794   -1.3682   -0.8902 O   0  0  0  0  0
   11.7607   -3.4123   -0.6001 N   0  0  0  0  0
   12.9179   -4.1216   -0.1343 C   0  0  0  0  0
   12.7088   -5.3488    0.5351 C   0  0  0  0  0
   13.8057   -6.0665    0.9910 C   0  0  0  0  0
   15.0967   -5.6207    0.7923 C   0  0  0  0  0
   15.3495   -4.4221    0.1335 C   0  0  0  0  0
   14.2584   -3.6637   -0.3311 C   0  0  0  0  0
   16.0205   -6.6023    1.3687 C   0  0  0  0  0
   17.4142   -6.6150    1.4092 C   0  0  0  0  0
   18.0528   -7.7035    2.0314 C   0  0  0  0  0
   17.2920   -8.7497    2.5992 C   0  0  0  0  0
   15.8875   -8.7161    2.5468 C   0  0  0  0  0
   15.2784   -7.6308    1.9228 C   0  0  0  0  0
   13.8654   -7.3349    1.7107 C   0  0  0  0  0
   12.9168   -8.0165    2.0653 O   0  0  0  0  0
   -1.3890    2.3743    2.3375 Cl  0  0  0  0  0
    1.6515    2.8410   -1.6916 H   0  0  0  0  0
    2.1280    4.2278   -0.6462 H   0  0  0  0  0
    1.0224    2.9598    0.0010 H   0  0  0  0  0
    2.0413    0.4546   -0.3802 H   0  0  0  0  0
    6.2160    2.7347    0.9846 H   0  0  0  0  0
    4.3389    4.0333    0.2057 H   0  0  0  0  0
    2.9968   -1.5029    1.1255 H   0  0  0  0  0
    3.6646   -1.7479   -0.5310 H   0  0  0  0  0
    7.5773    1.3951    2.1051 H   0  0  0  0  0
    8.6628   -0.7609    2.8302 H   0  0  0  0  0
    9.7448    0.4455    2.1246 H   0  0  0  0  0
   10.3845   -1.7204    1.2890 H   0  0  0  0  0
    8.7968   -2.0535    0.5682 H   0  0  0  0  0
    9.0521    0.7225   -1.8997 H   0  0  0  0  0
    7.8999   -0.4987   -1.2354 H   0  0  0  0  0
    9.1202    1.9100    0.2543 H   0  0  0  0  0
    7.5135    1.8730   -0.4982 H   0  0  0  0  0
   10.5602   -1.0192   -2.3998 H   0  0  0  0  0
    9.6316   -2.3067   -1.5786 H   0  0  0  0  0
   10.8706   -3.9340   -0.5995 H   0  0  0  0  0
   11.7080   -5.7272    0.7023 H   0  0  0  0  0
   16.3644   -4.0799   -0.0250 H   0  0  0  0  0
   14.4821   -2.7509   -0.8547 H   0  0  0  0  0
   17.9918   -5.8118    0.9714 H   0  0  0  0  0
   19.1334   -7.7401    2.0746 H   0  0  0  0  0
   17.7920   -9.5825    3.0761 H   0  0  0  0  0
   15.2962   -9.5139    2.9771 H   0  0  0  0  0
   -0.7312    1.3040    1.7773 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 42  1  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 12 44  1  0  0  0
 12 45  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
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 16 17  1  0  0  0
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 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
 24 58  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 59  1  0  0  0
 28 60  1  0  0  0
 29 34  1  0  0  0
 29 30  2  0  0  0
 30 31  1  0  0  0
 30 61  1  0  0  0
 31 32  2  0  0  0
 31 62  1  0  0  0
 32 33  1  0  0  0
 32 63  1  0  0  0
 33 34  2  0  0  0
 33 64  1  0  0  0
 34 35  1  0  0  0
 35 36  2  0  0  0
 37 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538823

>  <PubChem CID>
10075282

>  <Formula>
C29H28ClN3O4

>  <Molecular Weight>
518.010000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C(C=C1)N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O.Cl

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O.Cl

>  <InChI Std. ID>
InChI=1S/C29H27N3O4.ClH/c1-18-6-9-26-19(14-18)17-36-29(35)32(26)21-10-12-31(13-11-21)16-27(33)30-20-7-8-23-22-4-2-3-5-24(22)28(34)25(23)15-20;/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,30,33);1H

>  <InChI Key>
CWDXDUCVBHFWND-UHFFFAOYSA-N

