
 CHEMBL215662

 55 58  0  0  0  0  0  0  0  0999 V2000
   -1.9633   -0.2282   -2.5235 C   0  0  0  0  0
   -1.6921   -1.7277   -2.6372 C   0  0  0  0  0
   -0.3345   -2.0859   -2.0305 C   0  0  0  0  0
   -0.2539   -1.6264   -0.6375 N   0  0  0  0  0
   -0.4655   -0.1767   -0.4865 C   0  0  0  0  0
   -1.8096    0.2548   -1.0815 C   0  0  0  0  0
   -0.8452   -2.4288    0.3475 C   0  0  0  0  0
   -1.5942   -1.8470    1.3108 N   0  0  0  0  0
   -2.1703   -2.5937    2.2694 C   0  0  0  0  0
   -2.0232   -3.9876    2.3309 C   0  0  0  0  0
   -1.2260   -4.5902    1.3580 C   0  0  0  0  0
   -0.6298   -3.8052    0.3725 C   0  0  0  0  0
   -2.6573   -4.7288    3.3477 C   0  0  0  0  0
   -3.4384   -4.0934    4.3190 C   0  0  0  0  0
   -3.5735   -2.7100    4.2608 C   0  0  0  0  0
   -2.9437   -1.9804    3.2427 C   0  0  0  0  0
   -4.0466   -4.9080    5.2952 N   0  0  0  0  0
   -4.8420   -4.5045    6.3534 C   0  0  0  0  0
   -5.1332   -3.3513    6.6542 O   0  0  0  0  0
   -5.3529   -5.6704    7.1827 C   0  0  0  0  0
   -6.8793   -5.6952    7.2136 C   0  0  0  0  0
   -7.5032   -5.9755    5.8656 C   0  0  0  0  0
   -8.2973   -5.0033    5.2443 C   0  0  0  0  0
   -8.8876   -5.2528    4.0031 C   0  0  0  0  0
   -8.6913   -6.4796    3.3552 C   0  0  0  0  0
   -7.8903   -7.4504    3.9758 C   0  0  0  0  0
   -7.3073   -7.2033    5.2211 C   0  0  0  0  0
   -9.3234   -6.7674    2.0162 C   0  0  0  0  0
   -8.3977   -6.9816    1.0397 F   0  0  0  0  0
  -10.1034   -7.8847    2.0388 F   0  0  0  0  0
  -10.1240   -5.7648    1.5586 F   0  0  0  0  0
   -1.2618    0.3179   -3.1662 H   0  0  0  0  0
   -2.9722   -0.0030   -2.8865 H   0  0  0  0  0
   -1.7162   -2.0269   -3.6909 H   0  0  0  0  0
   -2.4889   -2.2820   -2.1264 H   0  0  0  0  0
   -0.1447   -3.1576   -2.1433 H   0  0  0  0  0
    0.4583   -1.5878   -2.6039 H   0  0  0  0  0
   -0.3743    0.1509    0.5564 H   0  0  0  0  0
    0.3402    0.3409   -1.0236 H   0  0  0  0  0
   -2.6363   -0.1437   -0.4819 H   0  0  0  0  0
   -1.8929    1.3470   -1.0486 H   0  0  0  0  0
   -1.0512   -5.6622    1.3604 H   0  0  0  0  0
    0.0216   -4.2818   -0.3503 H   0  0  0  0  0
   -2.5295   -5.8083    3.3698 H   0  0  0  0  0
   -4.1649   -2.1581    4.9842 H   0  0  0  0  0
   -3.0647   -0.9000    3.2118 H   0  0  0  0  0
   -3.8972   -5.9029    5.1891 H   0  0  0  0  0
   -4.9647   -5.5355    8.1995 H   0  0  0  0  0
   -4.9520   -6.6233    6.8207 H   0  0  0  0  0
   -7.2579   -4.7446    7.6103 H   0  0  0  0  0
   -7.2164   -6.4698    7.9138 H   0  0  0  0  0
   -8.4619   -4.0390    5.7233 H   0  0  0  0  0
   -9.5043   -4.4802    3.5456 H   0  0  0  0  0
   -7.7253   -8.4109    3.4894 H   0  0  0  0  0
   -6.7064   -7.9814    5.6866 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 16  1  0  0  0
  9 10  2  0  0  0
 10 13  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 42  1  0  0  0
 12 43  1  0  0  0
 13 14  2  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 45  1  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  1  0  0  0
 21 50  1  0  0  0
 21 51  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 24 25  2  0  0  0
 24 53  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 54  1  0  0  0
 27 55  1  0  0  0
 28 31  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL215662

>  <PubChem CID>
44417921

>  <Formula>
C24H24F3N3O

>  <Molecular Weight>
427.471000

>  <IUPAC Name>
N-(2-piperidin-1-ylquinolin-6-yl)-3-[4-(trifluoromethyl)phenyl]propanamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(CC1)C2=NC3=C(C=C2)C=C(C=C3)NC(=O)CCC4=CC=C(C=C4)C(F)(F)F

>  <Isomeric SMILES>
C1CCN(CC1)C2=NC3=C(C=C2)C=C(C=C3)NC(=O)CCC4=CC=C(C=C4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H24F3N3O/c25-24(26,27)19-8-4-17(5-9-19)6-13-23(31)28-20-10-11-21-18(16-20)7-12-22(29-21)30-14-2-1-3-15-30/h4-5,7-12,16H,1-3,6,13-15H2,(H,28,31)

>  <InChI Key>
CNVFIVMZCNRFEZ-UHFFFAOYSA-N

