
 CHEMBL3329375

 45 49  0  0  0  0  0  0  0  0999 V2000
    0.2807   -0.2264    0.3416 C   0  0  0  0  0
    0.2019    0.9398   -0.6684 C   0  0  0  0  0
    1.1218    2.1030   -0.2840 C   0  0  0  0  0
    0.5933    3.5280   -0.4908 C   0  0  0  0  0
    1.4093    4.2777    0.5311 C   0  0  0  0  0
    1.6273    5.6457    0.5974 C   0  0  0  0  0
    2.3583    6.0911    1.6810 C   0  0  0  0  0
    2.8255    5.2373    2.6651 C   0  0  0  0  0
    2.6060    3.8755    2.6289 C   0  0  0  0  0
    1.9155    3.3989    1.5224 C   0  0  0  0  0
    1.4938    1.9991    1.2035 C   0  0  0  0  0
    2.3549    0.8297    1.3396 N   0  0  0  0  0
    1.6714   -0.4236    0.9809 C   0  0  0  0  0
    3.7485    0.7325    1.3369 C   0  0  0  0  0
    4.2883   -0.3518    1.5516 O   0  0  0  0  0
    4.4287    1.8799    1.0213 N   0  0  0  0  0
    5.8212    2.0785    0.9285 C   0  0  0  0  0
    6.7780    1.1027    1.2212 C   0  0  0  0  0
    8.1403    1.3828    1.0755 C   0  0  0  0  0
    8.5438    2.6403    0.6466 C   0  0  0  0  0
    7.6104    3.6278    0.3645 C   0  0  0  0  0
    6.2501    3.3472    0.5070 C   0  0  0  0  0
    9.8490    2.9044    0.5037 F   0  0  0  0  0
    3.5053    5.8988    3.6407 O   0  0  0  0  0
    3.4323    7.2552    3.1566 C   0  0  0  0  0
    2.6946    7.3877    1.9234 O   0  0  0  0  0
   -0.0456   -1.1575   -0.1359 H   0  0  0  0  0
   -0.4447   -0.0345    1.1432 H   0  0  0  0  0
   -0.8401    1.2698   -0.7500 H   0  0  0  0  0
    0.4882    0.5771   -1.6632 H   0  0  0  0  0
    2.0399    2.0083   -0.8877 H   0  0  0  0  0
   -0.4721    3.6141   -0.2543 H   0  0  0  0  0
    0.7832    3.8812   -1.5085 H   0  0  0  0  0
    1.2463    6.3322   -0.1481 H   0  0  0  0  0
    2.9678    3.2203    3.4129 H   0  0  0  0  0
    0.6067    1.8243    1.8292 H   0  0  0  0  0
    2.2975   -0.9787    0.2709 H   0  0  0  0  0
    1.5860   -1.0307    1.8894 H   0  0  0  0  0
    3.8747    2.6545    0.7016 H   0  0  0  0  0
    6.4969    0.1105    1.5601 H   0  0  0  0  0
    8.8837    0.6229    1.2934 H   0  0  0  0  0
    7.9448    4.6067    0.0360 H   0  0  0  0  0
    5.5310    4.1321    0.2850 H   0  0  0  0  0
    4.4520    7.6239    2.9954 H   0  0  0  0  0
    2.9512    7.8757    3.9211 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 43  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3329375

>  <PubChem CID>
118712358

>  <Formula>
C20H19FN2O3

>  <Molecular Weight>
354.381000

>  <IUPAC Name>


>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2CC3=CC4=C(C=C3C2N(C1)C(=O)NC5=CC=C(C=C5)F)OCO4

>  <Isomeric SMILES>
C1CC2CC3=CC4=C(C=C3C2N(C1)C(=O)NC5=CC=C(C=C5)F)OCO4

>  <InChI Std. ID>
InChI=1S/C20H19FN2O3/c21-14-3-5-15(6-4-14)22-20(24)23-7-1-2-12-8-13-9-17-18(26-11-25-17)10-16(13)19(12)23/h3-6,9-10,12,19H,1-2,7-8,11H2,(H,22,24)

>  <InChI Key>
ABNCXZLRMPDLES-UHFFFAOYSA-N

