
 CHEMBL1765500

 67 70  0  0  0  0  0  0  0  0999 V2000
    1.9084   -0.9377   -1.3836 C   0  0  0  0  0
    2.9803   -0.4685   -0.4405 C   0  0  0  0  0
    3.0220    0.8379    0.0439 C   0  0  0  0  0
    3.9450    1.1616    1.0462 C   0  0  0  0  0
    4.7824    0.1268    1.4978 C   0  0  0  0  0
    4.7887   -1.1246    0.8999 C   0  0  0  0  0
    3.8922   -1.4088   -0.0675 N   0  0  0  0  0
    5.7084   -2.1139    1.2328 N   0  0  0  0  0
    6.6045   -2.4603    0.1126 C   0  0  0  0  0
    7.8671   -1.5575    0.1258 C   0  0  0  0  0
    8.6220   -1.5251    1.4020 N   0  0  0  0  0
    7.6991   -1.2804    2.5308 C   0  0  0  0  0
    6.3902   -2.1117    2.5367 C   0  0  0  0  0
    9.3924   -2.7489    1.6058 C   0  0  0  0  0
    4.1210    2.5025    1.6397 C   0  0  0  0  0
    3.0571    3.2102    2.2143 C   0  0  0  0  0
    3.2698    4.4540    2.8208 C   0  0  0  0  0
    4.5486    5.0026    2.8701 C   0  0  0  0  0
    5.6187    4.3193    2.3031 C   0  0  0  0  0
    5.4042    3.0848    1.6892 C   0  0  0  0  0
    2.0785    1.8381   -0.4843 C   0  0  0  0  0
    0.9146    1.7582   -0.0967 O   0  0  0  0  0
    2.5403    2.8157   -1.3656 N   0  0  0  0  0
    1.5975    3.8448   -1.7767 C   0  0  0  0  0
    3.8554    2.8134   -2.0177 C   0  0  0  0  0
    3.8123    2.2576   -3.4269 C   0  0  0  0  0
    4.0677    0.8997   -3.6690 C   0  0  0  0  0
    3.9706    0.3572   -4.9603 C   0  0  0  0  0
    3.6370    1.2041   -6.0292 C   0  0  0  0  0
    3.4014    2.5714   -5.8199 C   0  0  0  0  0
    3.4911    3.0843   -4.5145 C   0  0  0  0  0
    3.0510    3.4905   -6.9672 C   0  0  0  0  0
    1.8523    4.1106   -6.7887 F   0  0  0  0  0
    3.9665    4.4850   -7.1303 F   0  0  0  0  0
    2.9699    2.8555   -8.1688 F   0  0  0  0  0
    4.2069   -1.1154   -5.2088 C   0  0  0  0  0
    3.1133   -1.7331   -5.7342 F   0  0  0  0  0
    5.2208   -1.3338   -6.0909 F   0  0  0  0  0
    4.5305   -1.8139   -4.0871 F   0  0  0  0  0
    2.1449   -1.9342   -1.7718 H   0  0  0  0  0
    1.8031   -0.2669   -2.2400 H   0  0  0  0  0
    0.9506   -1.0001   -0.8574 H   0  0  0  0  0
    5.4627    0.3495    2.3087 H   0  0  0  0  0
    6.1093   -2.3830   -0.8633 H   0  0  0  0  0
    6.9041   -3.5099    0.2175 H   0  0  0  0  0
    8.5355   -1.8490   -0.6937 H   0  0  0  0  0
    7.5617   -0.5266   -0.0988 H   0  0  0  0  0
    8.2187   -1.4257    3.4868 H   0  0  0  0  0
    7.4578   -0.2128    2.5091 H   0  0  0  0  0
    6.6387   -3.1520    2.7826 H   0  0  0  0  0
    5.7206   -1.7713    3.3358 H   0  0  0  0  0
    9.9771   -2.6786    2.5305 H   0  0  0  0  0
   10.1170   -2.8797    0.7943 H   0  0  0  0  0
    8.7699   -3.6466    1.6634 H   0  0  0  0  0
    2.0510    2.7960    2.2135 H   0  0  0  0  0
    2.4326    4.9849    3.2651 H   0  0  0  0  0
    4.7121    5.9611    3.3568 H   0  0  0  0  0
    6.6204    4.7393    2.3451 H   0  0  0  0  0
    6.2598    2.5677    1.2554 H   0  0  0  0  0
    0.7515    3.9161   -1.0873 H   0  0  0  0  0
    1.2147    3.6064   -2.7723 H   0  0  0  0  0
    2.1063    4.8133   -1.7950 H   0  0  0  0  0
    4.5801    2.2376   -1.4362 H   0  0  0  0  0
    4.2351    3.8425   -2.0304 H   0  0  0  0  0
    4.3407    0.2461   -2.8408 H   0  0  0  0  0
    3.5599    0.7887   -7.0357 H   0  0  0  0  0
    3.2980    4.1446   -4.3475 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
  4 15  1  0  0  0
  5  6  1  0  0  0
  5 43  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
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 21 23  1  0  0  0
 21 22  2  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
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 24 61  1  0  0  0
 24 62  1  0  0  0
 25 26  1  0  0  0
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 26 31  1  0  0  0
 26 27  2  0  0  0
 27 28  1  0  0  0
 27 65  1  0  0  0
 28 29  2  0  0  0
 28 36  1  0  0  0
 29 30  1  0  0  0
 29 66  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 31 67  1  0  0  0
 32 35  1  0  0  0
 32 34  1  0  0  0
 32 33  1  0  0  0
 36 39  1  0  0  0
 36 38  1  0  0  0
 36 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1765500

>  <PubChem CID>
53249015

>  <Formula>
C28H28F6N4O

>  <Molecular Weight>
550.549000

>  <IUPAC Name>
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N,2-dimethyl-6-(4-methylpiperazin-1-yl)-4-phenylpyridine-3-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=C(C(=CC(=N1)N2CCN(CC2)C)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC(=N1)N2CCN(CC2)C)C3=CC=CC=C3)C(=O)N(C)CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C28H28F6N4O/c1-18-25(23(20-7-5-4-6-8-20)16-24(35-18)38-11-9-36(2)10-12-38)26(39)37(3)17-19-13-21(27(29,30)31)15-22(14-19)28(32,33)34/h4-8,13-16H,9-12,17H2,1-3H3

>  <InChI Key>
AFZUBBFQMWDRAV-UHFFFAOYSA-N

