
 CHEMBL143026

 57 60  0  0  0  0  0  0  0  0999 V2000
    0.4778   -1.6402    0.8431 C   0  0  0  0  0
    1.6119   -1.5058   -0.0102 O   0  0  0  0  0
    2.1704   -0.2569   -0.0658 C   0  0  0  0  0
    3.5503   -0.1214   -0.2341 C   0  0  0  0  0
    4.1009    1.1670   -0.2926 C   0  0  0  0  0
    3.3355    2.3179   -0.1880 C   0  0  0  0  0
    1.9417    2.2017   -0.0675 C   0  0  0  0  0
    1.3803    0.9008   -0.0144 C   0  0  0  0  0
    1.1863    3.4037    0.0062 C   0  0  0  0  0
    1.8644    4.6271    0.1633 C   0  0  0  0  0
    1.1296    5.9141    0.4332 C   0  0  0  0  0
    2.0160    7.0083    1.0221 C   0  0  0  0  0
    3.2835    7.1895    0.1819 C   0  0  0  0  0
    4.0782    5.8759    0.1664 C   0  0  0  0  0
    3.2508    4.6264    0.0150 C   0  0  0  0  0
    3.9680    3.4981   -0.1868 N   0  0  0  0  0
    4.1862    8.3154    0.7107 C   0  0  0  0  0
    3.5407    9.6133    0.6807 N   0  0  0  0  0
    2.9346   10.1456    1.8014 C   0  0  0  0  0
    2.9040    9.5790    2.8882 O   0  0  0  0  0
    2.3093   11.4877    1.6494 C   0  0  0  0  0
    2.1844   12.2913    2.7893 C   0  0  0  0  0
    1.6092   13.5611    2.6990 C   0  0  0  0  0
    1.1412   14.0427    1.4679 C   0  0  0  0  0
    1.2458   13.2215    0.3329 C   0  0  0  0  0
    1.8208   11.9500    0.4220 C   0  0  0  0  0
    0.5310   15.4190    1.3469 C   0  0  0  0  0
    1.2280   16.2183    0.4921 F   0  0  0  0  0
   -0.7433   15.3826    0.8686 F   0  0  0  0  0
    0.4700   16.0967    2.5262 F   0  0  0  0  0
   -0.2240    3.3584    0.1502 N   0  0  0  0  0
    4.5035   -1.0990   -0.3394 O   0  0  0  0  0
    4.1208   -2.4531   -0.1581 C   0  0  0  0  0
    0.3688   -2.7009    1.0883 H   0  0  0  0  0
   -0.4312   -1.3232    0.3224 H   0  0  0  0  0
    0.6024   -1.0921    1.7839 H   0  0  0  0  0
    5.1787    1.2733   -0.4004 H   0  0  0  0  0
    0.3055    0.8019    0.0851 H   0  0  0  0  0
    0.6908    6.2657   -0.5090 H   0  0  0  0  0
    0.3104    5.7437    1.1415 H   0  0  0  0  0
    1.4318    7.9338    1.0609 H   0  0  0  0  0
    2.2864    6.7525    2.0551 H   0  0  0  0  0
    2.9794    7.4349   -0.8454 H   0  0  0  0  0
    4.6395    5.7727    1.1045 H   0  0  0  0  0
    4.8168    5.9141   -0.6445 H   0  0  0  0  0
    5.0807    8.4002    0.0832 H   0  0  0  0  0
    4.5202    8.0974    1.7317 H   0  0  0  0  0
    3.6514   10.1764   -0.1507 H   0  0  0  0  0
    2.5399   11.9290    3.7531 H   0  0  0  0  0
    1.5293   14.1713    3.5978 H   0  0  0  0  0
    0.8705   13.5718   -0.6283 H   0  0  0  0  0
    1.8534   11.3281   -0.4679 H   0  0  0  0  0
   -0.6473    2.5879   -0.3565 H   0  0  0  0  0
   -0.6807    4.2299   -0.0998 H   0  0  0  0  0
    5.0302   -3.0607   -0.2021 H   0  0  0  0  0
    3.4676   -2.7907   -0.9683 H   0  0  0  0  0
    3.6732   -2.6145    0.8278 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6 16  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 17  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 46  1  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 52  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 31 53  1  0  0  0
 31 54  1  0  0  0
 32 33  1  0  0  0
 33 55  1  0  0  0
 33 56  1  0  0  0
 33 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL143026

>  <PubChem CID>
10479323

>  <Formula>
C24H24F3N3O3

>  <Molecular Weight>
459.469000

>  <IUPAC Name>
N-[(9-amino-6,7-dimethoxy-1,2,3,4-tetrahydroacridin-3-yl)methyl]-4-(trifluoromethyl)benzamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)C(=C3CCC(CC3=N2)CNC(=O)C4=CC=C(C=C4)C(F)(F)F)N)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)C(=C3CCC(CC3=N2)CNC(=O)C4=CC=C(C=C4)C(F)(F)F)N)OC

>  <InChI Std. ID>
InChI=1S/C24H24F3N3O3/c1-32-20-10-17-19(11-21(20)33-2)30-18-9-13(3-8-16(18)22(17)28)12-29-23(31)14-4-6-15(7-5-14)24(25,26)27/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H2,28,30)(H,29,31)

>  <InChI Key>
FTEVEABUGCVYPW-UHFFFAOYSA-N

