
 CHEMBL3093192

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.4042    1.6387   -1.1438 C   0  0  0  0  0
    0.0384    2.2399   -0.7971 C   0  0  0  0  0
   -1.0448    1.3336   -1.2002 N   0  0  0  0  0
   -0.9250    0.0162   -0.5587 C   0  0  0  0  0
    0.4181   -0.6444   -0.8782 C   0  0  0  0  0
    1.6092    0.2505   -0.5179 C   0  0  0  0  0
    1.8207    0.3212    1.0045 C   0  0  0  0  0
    2.9870    1.1074    1.2625 O   0  0  0  0  0
    3.2437    1.3057    2.6085 C   0  0  0  0  0
    2.3975    0.7600    3.5038 N   0  0  0  0  0
    2.6333    0.9470    4.8119 C   0  0  0  0  0
    3.7393    1.6898    5.2866 C   0  0  0  0  0
    3.8958    1.8234    6.6930 C   0  0  0  0  0
    2.9985    1.2519    7.5971 C   0  0  0  0  0
    1.9193    0.5305    7.1165 C   0  0  0  0  0
    1.7541    0.3895    5.7411 C   0  0  0  0  0
    0.6932   -0.3175    5.3142 F   0  0  0  0  0
    4.6314    2.2645    4.3168 C   0  0  0  0  0
    5.7789    3.0330    4.6459 C   0  0  0  0  0
    6.6181    3.5804    3.6698 C   0  0  0  0  0
    6.3395    3.3787    2.3280 C   0  0  0  0  0
    5.2255    2.6281    1.9677 C   0  0  0  0  0
    4.3680    2.0660    2.9442 C   0  0  0  0  0
   -2.3909    1.9104   -0.9352 C   0  0  0  0  0
   -2.7441    3.2985   -1.5130 C   0  0  0  0  0
   -4.0758    3.3863   -1.7478 F   0  0  0  0  0
   -2.4267    4.2816   -0.6380 F   0  0  0  0  0
   -2.1119    3.5607   -2.6775 F   0  0  0  0  0
    1.4840    1.5462   -2.2358 H   0  0  0  0  0
    2.1998    2.3273   -0.8379 H   0  0  0  0  0
   -0.0431    3.1911   -1.3351 H   0  0  0  0  0
   -0.0192    2.4712    0.2734 H   0  0  0  0  0
   -1.0559    0.0972    0.5273 H   0  0  0  0  0
   -1.7194   -0.6453   -0.9267 H   0  0  0  0  0
    0.4900   -1.6058   -0.3558 H   0  0  0  0  0
    0.4557   -0.8707   -1.9521 H   0  0  0  0  0
    2.5197   -0.1791   -0.9565 H   0  0  0  0  0
    1.9720   -0.6941    1.3933 H   0  0  0  0  0
    0.9470    0.7670    1.4929 H   0  0  0  0  0
    4.7284    2.3833    7.1115 H   0  0  0  0  0
    3.1458    1.3736    8.6671 H   0  0  0  0  0
    1.2044    0.0754    7.7918 H   0  0  0  0  0
    6.0464    3.2246    5.6811 H   0  0  0  0  0
    7.4865    4.1636    3.9648 H   0  0  0  0  0
    6.9845    3.8017    1.5622 H   0  0  0  0  0
    5.0191    2.4772    0.9090 H   0  0  0  0  0
   -2.5702    1.9483    0.1478 H   0  0  0  0  0
   -3.1265    1.2087   -1.3477 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 13 14  2  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  2  0  0  0
 15 42  1  0  0  0
 16 17  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 25 28  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3093192

>  <PubChem CID>
72697938

>  <Formula>
C21H20F4N2O

>  <Molecular Weight>
392.398000

>  <IUPAC Name>
4-fluoro-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenanthridine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CN(CCC1COC2=NC3=C(C=CC=C3F)C4=CC=CC=C42)CC(F)(F)F

>  <Isomeric SMILES>
C1CN(CCC1COC2=NC3=C(C=CC=C3F)C4=CC=CC=C42)CC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H20F4N2O/c22-18-7-3-6-16-15-4-1-2-5-17(15)20(26-19(16)18)28-12-14-8-10-27(11-9-14)13-21(23,24)25/h1-7,14H,8-13H2

>  <InChI Key>
FFNMWRBGZLEJCD-UHFFFAOYSA-N

