
 CHEMBL197026

 59 62  0  0  0  0  0  0  0  0999 V2000
    0.5829    1.9464   -0.9565 C   0  0  0  0  0
    1.3145    0.6408   -0.8231 C   0  0  0  0  0
    0.8271   -0.4819   -1.5088 C   0  0  0  0  0
    1.4639   -1.7149   -1.3901 C   0  0  0  0  0
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    2.4813    0.5054   -0.0406 C   0  0  0  0  0
    3.0755    1.5505    0.7149 C   0  0  0  0  0
    4.2305    1.3359    1.4794 C   0  0  0  0  0
    4.8119    0.0758    1.4737 C   0  0  0  0  0
    4.2369   -0.9550    0.7273 C   0  0  0  0  0
    4.7340    2.4173    2.2227 N   0  0  0  0  0
    5.8207    2.4282    3.0849 C   0  0  0  0  0
    6.5491    1.4804    3.3651 O   0  0  0  0  0
    6.0118    3.7839    3.7634 C   0  0  0  0  0
    5.3304    4.8011    3.0281 O   0  0  0  0  0
    5.1475    5.9927    3.6640 C   0  0  0  0  0
    4.2153    6.8432    3.0639 C   0  0  0  0  0
    3.9212    8.0938    3.6181 C   0  0  0  0  0
    4.5946    8.5172    4.7614 C   0  0  0  0  0
    5.5167    7.6595    5.3695 C   0  0  0  0  0
    5.8030    6.4072    4.8186 C   0  0  0  0  0
    4.4548    9.7207    5.3894 O   0  0  0  0  0
    3.9065   10.8032    4.6541 C   0  0  0  0  0
    2.5629   10.8023    4.7574 F   0  0  0  0  0
    4.3715   11.9521    5.1879 F   0  0  0  0  0
    4.2574   10.7820    3.3514 F   0  0  0  0  0
    0.9337   -2.8647   -2.0322 N   0  0  0  0  0
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    1.3131   -5.2301   -2.6489 C   0  0  0  0  0
    1.8546   -4.0125   -1.9046 C   0  0  0  0  0
   -0.1750   -6.1638   -0.8786 N   0  0  0  0  0
   -0.3439    1.8320   -1.5283 H   0  0  0  0  0
    1.2073    2.6806   -1.4763 H   0  0  0  0  0
    0.3048    2.3336    0.0300 H   0  0  0  0  0
   -0.0486   -0.3904   -2.1435 H   0  0  0  0  0
    2.6191    2.5346    0.7105 H   0  0  0  0  0
    5.7141   -0.1509    2.0350 H   0  0  0  0  0
    4.7044   -1.9367    0.7354 H   0  0  0  0  0
    4.2623    3.3091    2.1274 H   0  0  0  0  0
    7.0859    4.0024    3.7929 H   0  0  0  0  0
    5.5990    3.6866    4.7760 H   0  0  0  0  0
    3.7053    6.5285    2.1543 H   0  0  0  0  0
    3.1720    8.7054    3.1283 H   0  0  0  0  0
    6.0340    7.9759    6.2722 H   0  0  0  0  0
    6.5502    5.7939    5.3118 H   0  0  0  0  0
   -1.1098   -2.3009   -1.7973 H   0  0  0  0  0
   -0.4708   -3.3262   -0.5077 H   0  0  0  0  0
   -2.0192   -4.5745   -1.9777 H   0  0  0  0  0
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    1.9852   -6.0843   -2.4972 H   0  0  0  0  0
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    2.8319   -3.7645   -2.3391 H   0  0  0  0  0
    0.2166   -5.5190   -0.1932 H   0  0  0  0  0
    0.4120   -6.9984   -0.8367 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  2  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
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 11 41  1  0  0  0
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 13 14  2  0  0  0
 15 16  1  0  0  0
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 33 57  1  0  0  0
 34 58  1  0  0  0
 34 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL197026

>  <PubChem CID>
10027853

>  <Formula>
C24H25F3N4O3

>  <Molecular Weight>
474.484000

>  <IUPAC Name>
N-[2-(4-aminopiperidin-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(F)(F)F)N4CCC(CC4)N

>  <Isomeric SMILES>
CC1=CC(=NC2=C1C=C(C=C2)NC(=O)COC3=CC=C(C=C3)OC(F)(F)F)N4CCC(CC4)N

>  <InChI Std. ID>
InChI=1S/C24H25F3N4O3/c1-15-12-22(31-10-8-16(28)9-11-31)30-21-7-2-17(13-20(15)21)29-23(32)14-33-18-3-5-19(6-4-18)34-24(25,26)27/h2-7,12-13,16H,8-11,14,28H2,1H3,(H,29,32)

>  <InChI Key>
BEVTZBDUQNCQFB-UHFFFAOYSA-N

