
 CHEMBL481730

 52 55  0  0  0  0  0  0  0  0999 V2000
   -0.1810   -1.2849    0.4637 C   0  0  0  0  0
    0.8498   -0.5086   -0.3191 C   0  0  0  0  0
    0.1024   -0.0582   -1.5738 C   0  0  0  0  0
   -1.0850   -0.8833   -1.6541 O   0  0  0  0  0
   -1.0110   -1.8903   -0.6387 C   0  0  0  0  0
   -0.3296    1.4232   -1.6000 C   0  0  0  0  0
    0.7712    2.3672   -1.8500 N   0  0  0  0  0
    1.3889    3.0172   -0.6971 C   0  0  0  0  0
    0.6588    4.2877   -0.3803 C   0  0  0  0  0
   -0.2949    4.3666    0.7856 C   0  0  0  0  0
    1.0313    5.0709    0.8527 C   0  0  0  0  0
    1.3110    2.6612   -3.1042 C   0  0  0  0  0
    2.3933    3.2273   -3.2551 O   0  0  0  0  0
    0.5561    2.3479   -4.3376 C   0  0  0  0  0
    1.1814    1.6192   -5.3479 C   0  0  0  0  0
    0.5332    1.4366   -6.5747 C   0  0  0  0  0
   -0.7375    1.9921   -6.8355 C   0  0  0  0  0
   -1.3203    2.7698   -5.8181 C   0  0  0  0  0
   -0.6849    2.9434   -4.5792 C   0  0  0  0  0
   -1.3614    1.8032   -8.1665 C   0  0  0  0  0
   -2.6921    1.4571   -8.4140 C   0  0  0  0  0
   -3.1055    1.3450   -9.7585 C   0  0  0  0  0
   -2.2043    1.5370  -10.7969 C   0  0  0  0  0
   -0.9051    1.8465  -10.4639 C   0  0  0  0  0
   -0.4770    1.9818   -9.1915 N   0  0  0  0  0
   -3.7075    1.2115   -7.3384 C   0  0  0  0  0
   -4.3817    2.3480   -7.0026 F   0  0  0  0  0
   -4.6720    0.3246   -7.7262 F   0  0  0  0  0
   -3.2140    0.7052   -6.1779 F   0  0  0  0  0
    0.2518   -2.0322    1.1345 H   0  0  0  0  0
   -0.7901   -0.5955    1.0598 H   0  0  0  0  0
    1.6658   -1.1822   -0.6089 H   0  0  0  0  0
    1.2975    0.2906    0.2694 H   0  0  0  0  0
    0.7084   -0.2753   -2.4607 H   0  0  0  0  0
   -2.0170   -2.1650   -0.3097 H   0  0  0  0  0
   -0.5259   -2.7748   -1.0665 H   0  0  0  0  0
   -0.8351    1.6942   -0.6660 H   0  0  0  0  0
   -1.0867    1.5407   -2.3805 H   0  0  0  0  0
    2.4365    3.2536   -0.9105 H   0  0  0  0  0
    1.3860    2.3400    0.1583 H   0  0  0  0  0
    0.4441    4.8705   -1.2696 H   0  0  0  0  0
   -0.4325    3.4929    1.4125 H   0  0  0  0  0
   -1.1859    4.9731    0.6707 H   0  0  0  0  0
    1.0413    6.1526    0.7745 H   0  0  0  0  0
    1.7945    4.6694    1.5099 H   0  0  0  0  0
    2.1836    1.2240   -5.2001 H   0  0  0  0  0
    1.0471    0.8787   -7.3576 H   0  0  0  0  0
   -2.2666    3.2810   -5.9828 H   0  0  0  0  0
   -1.1434    3.5773   -3.8241 H   0  0  0  0  0
   -4.1391    1.0942   -9.9952 H   0  0  0  0  0
   -2.5078    1.4413  -11.8336 H   0  0  0  0  0
   -0.1480    1.9999  -11.2279 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7 12  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 44  1  0  0  0
 11 45  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  2  0  0  0
 16 47  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 26  1  0  0  0
 22 23  2  0  0  0
 22 50  1  0  0  0
 23 24  1  0  0  0
 23 51  1  0  0  0
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 26 29  1  0  0  0
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 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL481730

>  <PubChem CID>
44571492

>  <Formula>
C22H23F3N2O2

>  <Molecular Weight>
404.433000

>  <IUPAC Name>
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-[3-(trifluoromethyl)pyridin-2-yl]benzamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(OC1)CN(CC2CC2)C(=O)C3=CC=C(C=C3)C4=C(C=CC=N4)C(F)(F)F

>  <Isomeric SMILES>
C1CC(OC1)CN(CC2CC2)C(=O)C3=CC=C(C=C3)C4=C(C=CC=N4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C22H23F3N2O2/c23-22(24,25)19-4-1-11-26-20(19)16-7-9-17(10-8-16)21(28)27(13-15-5-6-15)14-18-3-2-12-29-18/h1,4,7-11,15,18H,2-3,5-6,12-14H2

>  <InChI Key>
BEWWKHUWENFXDW-UHFFFAOYSA-N

