
 CHEMBL285712

 53 57  0  0  0  0  0  0  0  0999 V2000
    2.2570    2.6088   -4.9788 C   0  0  0  0  0
    2.3989    1.1038   -5.2497 C   0  0  0  0  0
    3.2779    0.5936   -4.1025 C   0  0  0  0  0
    4.7308    0.8573   -4.4249 C   0  0  0  0  0
    5.2528    2.1322   -4.3202 C   0  0  0  0  0
    4.4594    3.2993   -3.8293 C   0  0  0  0  0
    2.9642    2.8497   -3.6299 C   0  0  0  0  0
    2.9344    1.5073   -2.9708 N   0  0  0  0  0
    1.6345    1.2328   -2.3434 C   0  0  0  0  0
    1.6437   -0.0743   -1.5414 C   0  0  0  0  0
    0.2920   -0.3204   -0.8657 C   0  0  0  0  0
    0.3210   -1.6063   -0.0387 C   0  0  0  0  0
   -1.0412   -1.9631    0.5312 C   0  0  0  0  0
   -2.0474   -1.2884    0.3166 O   0  0  0  0  0
   -1.1634   -3.2090    1.3449 C   0  0  0  0  0
   -2.4335   -3.7867    1.4960 C   0  0  0  0  0
   -2.5914   -4.9587    2.2385 C   0  0  0  0  0
   -1.4826   -5.5436    2.8377 C   0  0  0  0  0
   -0.2185   -4.9794    2.7068 C   0  0  0  0  0
   -0.0542   -3.8114    1.9566 C   0  0  0  0  0
   -1.6320   -6.6655    3.5525 F   0  0  0  0  0
    6.5603    2.1070   -4.6964 N   0  0  0  0  0
    6.8985    0.8242   -5.0826 C   0  0  0  0  0
    8.1137    0.3229   -5.5653 C   0  0  0  0  0
    8.1737   -1.0359   -5.8893 C   0  0  0  0  0
    7.0624   -1.8614   -5.7339 C   0  0  0  0  0
    5.8537   -1.3486   -5.2486 C   0  0  0  0  0
    5.7655    0.0172   -4.9155 C   0  0  0  0  0
    1.1936    2.8656   -4.9086 H   0  0  0  0  0
    2.6885    3.2031   -5.7908 H   0  0  0  0  0
    2.8303    0.9159   -6.2390 H   0  0  0  0  0
    1.4107    0.6296   -5.2240 H   0  0  0  0  0
    3.1302   -0.4673   -3.8846 H   0  0  0  0  0
    4.8691    3.6286   -2.8670 H   0  0  0  0  0
    4.5185    4.1354   -4.5342 H   0  0  0  0  0
    2.4518    3.6235   -3.0464 H   0  0  0  0  0
    0.8118    1.2172   -3.0672 H   0  0  0  0  0
    1.4141    2.0464   -1.6399 H   0  0  0  0  0
    2.4343   -0.0357   -0.7818 H   0  0  0  0  0
    1.8626   -0.9259   -2.1943 H   0  0  0  0  0
   -0.4934   -0.3813   -1.6295 H   0  0  0  0  0
    0.0373    0.5261   -0.2158 H   0  0  0  0  0
    1.0325   -1.4739    0.7822 H   0  0  0  0  0
    0.6483   -2.4409   -0.6702 H   0  0  0  0  0
   -3.3039   -3.3282    1.0287 H   0  0  0  0  0
   -3.5695   -5.4155    2.3530 H   0  0  0  0  0
    0.6310   -5.4513    3.1920 H   0  0  0  0  0
    0.9425   -3.3881    1.8787 H   0  0  0  0  0
    7.1922    2.8953   -4.7037 H   0  0  0  0  0
    8.9815    0.9622   -5.6890 H   0  0  0  0  0
    9.1034   -1.4536   -6.2687 H   0  0  0  0  0
    7.1322   -2.9151   -5.9921 H   0  0  0  0  0
    4.9939   -2.0005   -5.1315 H   0  0  0  0  0
  1  2  1  0  0  0
  1  7  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  8  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 43  1  0  0  0
 12 44  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 17 18  2  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 47  1  0  0  0
 20 48  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 27 28  2  0  0  0
 27 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL285712

>  <PubChem CID>
9842628

>  <Formula>
C24H25FN2O

>  <Molecular Weight>
376.475000

>  <IUPAC Name>


>  <XlogP>
4.700

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2C3=C(CC1N2CCCCC(=O)C4=CC=C(C=C4)F)NC5=CC=CC=C53

>  <Isomeric SMILES>
C1CC2C3=C(CC1N2CCCCC(=O)C4=CC=C(C=C4)F)NC5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2

>  <InChI Key>
AFVUFWHJUYVTQW-UHFFFAOYSA-N

