
 CHEMBL1916559

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.2108   -2.6833    0.2109 C   0  0  0  0  0
   -1.1555   -1.5253    0.5473 C   0  0  0  0  0
   -0.3820   -0.2756    0.4323 N   0  0  0  0  0
    0.9769   -0.6144    0.2860 C   0  0  0  0  0
    1.1173   -1.9987    0.2024 C   0  0  0  0  0
    2.3642   -2.5946    0.0735 C   0  0  0  0  0
    3.5068   -1.7795    0.0221 C   0  0  0  0  0
    3.3556   -0.3802    0.0909 C   0  0  0  0  0
    2.0896    0.2091    0.2264 C   0  0  0  0  0
    4.8305   -2.3773   -0.1098 C   0  0  0  0  0
    5.0892   -3.6659    0.1696 N   0  0  0  0  0
    6.4420   -3.8012   -0.1166 O   0  0  0  0  0
    6.8769   -2.5826   -0.5508 C   0  0  0  0  0
    5.9301   -1.6703   -0.5520 N   0  0  0  0  0
    8.2718   -2.4940   -0.9715 C   0  0  0  0  0
    9.1642   -3.5655   -0.8019 C   0  0  0  0  0
   10.4994   -3.4804   -1.2313 C   0  0  0  0  0
   10.9414   -2.2963   -1.8424 C   0  0  0  0  0
   10.0731   -1.2085   -2.0224 C   0  0  0  0  0
    8.7431   -1.3203   -1.5796 C   0  0  0  0  0
   10.5402    0.0657   -2.6883 C   0  0  0  0  0
    9.8443    0.3409   -3.8247 F   0  0  0  0  0
   10.3984    1.1539   -1.8843 F   0  0  0  0  0
   11.8525    0.0357   -3.0508 F   0  0  0  0  0
   11.4524   -4.6403   -1.0506 C   0  0  0  0  0
   11.9367   -5.0998   -2.2363 F   0  0  0  0  0
   12.5393   -4.3046   -0.3039 F   0  0  0  0  0
   10.8896   -5.7148   -0.4330 F   0  0  0  0  0
   -0.8892    1.0077    0.5563 C   0  0  0  0  0
   -0.2088    2.0321    0.5244 O   0  0  0  0  0
   -2.3985    1.0868    0.7558 C   0  0  0  0  0
   -2.8859    2.5271    0.8779 C   0  0  0  0  0
   -2.7878    3.2424   -0.4411 C   0  0  0  0  0
   -2.8669    2.7405   -1.5496 O   0  0  0  0  0
   -2.6695    4.5755   -0.2934 O   0  0  0  0  0
   -0.2682   -3.4811    0.9563 H   0  0  0  0  0
   -0.4312   -3.0881   -0.7825 H   0  0  0  0  0
   -1.5172   -1.6024    1.5799 H   0  0  0  0  0
   -2.0232   -1.5056   -0.1194 H   0  0  0  0  0
    2.4452   -3.6761    0.0017 H   0  0  0  0  0
    4.2313    0.2667    0.0463 H   0  0  0  0  0
    2.0071    1.2887    0.2840 H   0  0  0  0  0
    8.8222   -4.4882   -0.3302 H   0  0  0  0  0
   11.9765   -2.2254   -2.1832 H   0  0  0  0  0
    8.0621   -0.4784   -1.7216 H   0  0  0  0  0
   -2.6483    0.5555    1.6811 H   0  0  0  0  0
   -2.8984    0.5881   -0.0815 H   0  0  0  0  0
   -2.3007    3.0666    1.6309 H   0  0  0  0  0
   -3.9376    2.5412    1.1836 H   0  0  0  0  0
   -2.5783    4.9098   -1.2096 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 41  1  0  0  0
  9 42  1  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 25  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 45  1  0  0  0
 21 24  1  0  0  0
 21 23  1  0  0  0
 21 22  1  0  0  0
 25 28  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 31 46  1  0  0  0
 31 47  1  0  0  0
 32 33  1  0  0  0
 32 48  1  0  0  0
 32 49  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1916559

>  <PubChem CID>
44547414

>  <Formula>
C22H15F6N3O4

>  <Molecular Weight>
499.369000

>  <IUPAC Name>
4-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
C1CN(C2=C1C=C(C=C2)C3=NOC(=N3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)CCC(=O)O

>  <Isomeric SMILES>
C1CN(C2=C1C=C(C=C2)C3=NOC(=N3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C22H15F6N3O4/c23-21(24,25)14-8-13(9-15(10-14)22(26,27)28)20-29-19(30-35-20)12-1-2-16-11(7-12)5-6-31(16)17(32)3-4-18(33)34/h1-2,7-10H,3-6H2,(H,33,34)

>  <InChI Key>
YGAMOUONCVBLTE-UHFFFAOYSA-N

