
 CHEMBL2153597

 46 49  0  0  0  0  0  0  0  0999 V2000
   -6.8084   -0.8599   -7.1531 C   0  0  0  0  0
   -5.6840   -0.9565   -6.3488 C   0  0  0  0  0
   -5.7536   -0.5320   -5.0139 C   0  0  0  0  0
   -6.9688   -0.0238   -4.5167 C   0  0  0  0  0
   -8.0485    0.0557   -5.2979 N   0  0  0  0  0
   -7.9571   -0.3491   -6.5843 C   0  0  0  0  0
   -7.0702    0.3940   -3.2522 N   0  0  0  0  0
   -5.9865    0.3524   -2.4398 C   0  0  0  0  0
   -4.7589   -0.1400   -2.8566 C   0  0  0  0  0
   -4.6434   -0.5939   -4.1625 C   0  0  0  0  0
   -6.1791    0.8701   -1.0370 C   0  0  0  0  0
   -6.1099   -0.2109    0.0472 C   0  0  0  0  0
   -7.1017   -1.3679   -0.1127 C   0  0  0  0  0
   -8.5696   -0.9347   -0.0915 C   0  0  0  0  0
   -9.4702   -2.1038   -0.2222 C   0  0  0  0  0
  -10.3384   -2.6067    0.6292 N   0  0  0  0  0
  -10.8963   -3.7075    0.0055 N   0  0  0  0  0
  -10.3231   -3.7982   -1.1781 C   0  0  0  0  0
   -9.4056   -2.8057   -1.3934 O   0  0  0  0  0
  -10.5029   -4.7732   -2.2465 C   0  0  0  0  0
   -9.7108   -4.7450   -3.4092 C   0  0  0  0  0
   -9.8793   -5.6990   -4.4279 C   0  0  0  0  0
  -10.8572   -6.6766   -4.2714 C   0  0  0  0  0
  -11.6550   -6.7229   -3.1325 C   0  0  0  0  0
  -11.4764   -5.7756   -2.1219 C   0  0  0  0  0
  -11.0422   -7.5966   -5.2270 F   0  0  0  0  0
   -9.0381   -5.6935   -5.6679 C   0  0  0  0  0
   -8.3409   -6.8502   -5.8415 F   0  0  0  0  0
   -9.7650   -5.5107   -6.8040 F   0  0  0  0  0
   -8.0995   -4.7027   -5.6736 F   0  0  0  0  0
   -6.7900   -1.1715   -8.1912 H   0  0  0  0  0
   -4.7607   -1.3541   -6.7615 H   0  0  0  0  0
   -8.8698   -0.2438   -7.1645 H   0  0  0  0  0
   -3.9068   -0.1690   -2.1857 H   0  0  0  0  0
   -3.6919   -0.9837   -4.5140 H   0  0  0  0  0
   -7.1377    1.3988   -0.9722 H   0  0  0  0  0
   -5.4099    1.6272   -0.8392 H   0  0  0  0  0
   -6.2707    0.2646    1.0227 H   0  0  0  0  0
   -5.0971   -0.6321    0.0752 H   0  0  0  0  0
   -6.9265   -2.0824    0.7029 H   0  0  0  0  0
   -6.8828   -1.9147   -1.0385 H   0  0  0  0  0
   -8.7844   -0.2390   -0.9089 H   0  0  0  0  0
   -8.7876   -0.4109    0.8462 H   0  0  0  0  0
   -8.9484   -3.9733   -3.5268 H   0  0  0  0  0
  -12.4106   -7.4973   -3.0361 H   0  0  0  0  0
  -12.1040   -5.8225   -1.2322 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 19  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 46  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2153597

>  <PubChem CID>
71449524

>  <Formula>
C21H16F4N4O

>  <Molecular Weight>
416.380000

>  <IUPAC Name>
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[4-(1,8-naphthyridin-2-yl)butyl]-1,3,4-oxadiazole

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCCC3=NN=C(O3)C4=CC(=C(C=C4)F)C(F)(F)F

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C=C2)CCCCC3=NN=C(O3)C4=CC(=C(C=C4)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C21H16F4N4O/c22-17-10-8-14(12-16(17)21(23,24)25)20-29-28-18(30-20)6-2-1-5-15-9-7-13-4-3-11-26-19(13)27-15/h3-4,7-12H,1-2,5-6H2

>  <InChI Key>
BHPYUJJYTNVKNQ-UHFFFAOYSA-N

