
 CHEMBL500927

 44 46  0  0  0  0  0  0  0  0999 V2000
    4.6750    9.3429   -6.4678 C   0  0  0  0  0
    4.4660    8.5052   -5.3706 C   0  0  0  0  0
    4.6308    8.9820   -4.0539 C   0  0  0  0  0
    5.0292   10.3185   -3.8679 C   0  0  0  0  0
    5.2354   11.1548   -4.9718 C   0  0  0  0  0
    5.0538   10.6604   -6.2564 C   0  0  0  0  0
    5.2535   11.4651   -7.3075 F   0  0  0  0  0
    5.3456   11.0088   -2.3134 Cl  0  0  0  0  0
    4.3627    8.0553   -2.9607 C   0  0  0  0  0
    3.7386    8.3857   -1.8209 N   0  0  0  0  0
    3.6267    7.1816   -1.1355 O   0  0  0  0  0
    4.1745    6.2281   -1.9377 C   0  0  0  0  0
    4.6405    6.7030   -3.0718 N   0  0  0  0  0
    4.1183    4.8326   -1.4398 C   0  0  0  0  0
    5.1463    3.9360   -2.1180 C   0  0  0  0  0
    6.5398    4.2902   -1.6456 C   0  0  0  0  0
    6.8581    4.0822   -0.4848 O   0  0  0  0  0
    7.3318    4.8667   -2.6182 N   0  0  0  0  0
    8.6618    5.3144   -2.4537 C   0  0  0  0  0
    9.2510    6.0741   -3.4649 C   0  0  0  0  0
   10.4843    6.6334   -3.3850 N   0  0  0  0  0
   11.1802    6.4165   -2.2504 C   0  0  0  0  0
   10.7192    5.6109   -1.2165 C   0  0  0  0  0
    9.4435    5.0565   -1.3258 C   0  0  0  0  0
   11.5130    5.3650   -0.0497 C   0  0  0  0  0
   12.1427    5.1447    0.9012 N   0  0  0  0  0
   12.3903    7.0488   -2.0760 O   0  0  0  0  0
   12.7138    8.0238   -3.0764 C   0  0  0  0  0
   13.7440    9.0013   -2.5320 C   0  0  0  0  0
   14.4305    9.5853   -3.5422 F   0  0  0  0  0
   13.1520    9.9906   -1.8243 F   0  0  0  0  0
   14.6474    8.4025   -1.7273 F   0  0  0  0  0
    4.5391    8.9776   -7.4814 H   0  0  0  0  0
    4.1548    7.4769   -5.5469 H   0  0  0  0  0
    5.5420   12.1886   -4.8425 H   0  0  0  0  0
    3.1159    4.4370   -1.6380 H   0  0  0  0  0
    4.2590    4.8252   -0.3522 H   0  0  0  0  0
    5.0736    3.9917   -3.2102 H   0  0  0  0  0
    4.9704    2.8898   -1.8421 H   0  0  0  0  0
    6.8711    5.1239   -3.4853 H   0  0  0  0  0
    8.7225    6.2905   -4.3899 H   0  0  0  0  0
    9.0730    4.4376   -0.5094 H   0  0  0  0  0
   11.8371    8.6069   -3.3835 H   0  0  0  0  0
   13.1237    7.5025   -3.9483 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 14 37  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 27  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
 24 42  1  0  0  0
 25 26  3  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 28 43  1  0  0  0
 28 44  1  0  0  0
 29 32  1  0  0  0
 29 31  1  0  0  0
 29 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL500927

>  <PubChem CID>
25034004

>  <Formula>
C19H12ClF4N5O3

>  <Molecular Weight>
469.781000

>  <IUPAC Name>
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[5-cyano-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]propanamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1=CC(=C(C=C1F)Cl)C2=NOC(=N2)CCC(=O)NC3=CN=C(C(=C3)C#N)OCC(F)(F)F

>  <Isomeric SMILES>
C1=CC(=C(C=C1F)Cl)C2=NOC(=N2)CCC(=O)NC3=CN=C(C(=C3)C#N)OCC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C19H12ClF4N5O3/c20-14-6-11(21)1-2-13(14)17-28-16(32-29-17)4-3-15(30)27-12-5-10(7-25)18(26-8-12)31-9-19(22,23)24/h1-2,5-6,8H,3-4,9H2,(H,27,30)

>  <InChI Key>
AZLFGSQKXKYODE-UHFFFAOYSA-N

