
 CHEMBL2179324

 43 47  0  0  0  0  0  0  0  0999 V2000
   -0.4184   -2.5150    0.1865 C   0  0  0  0  0
    0.6679   -3.5493    0.1674 C   0  0  0  0  0
    1.0166   -2.0905   -0.0117 C   0  0  0  0  0
    1.7179   -1.3197    1.0754 C   0  0  0  0  0
    3.1176   -0.9062    0.7669 C   0  0  0  0  0
    3.5423    0.3349    0.6426 N   0  0  0  0  0
    4.8871    0.3056    0.3712 N   0  0  0  0  0
    5.2723   -0.9517    0.3304 C   0  0  0  0  0
    4.1791   -1.7674    0.5797 N   0  0  0  0  0
    4.2575   -3.1505    0.6029 C   0  0  0  0  0
    5.4383   -3.7368    0.3578 C   0  0  0  0  0
    6.6253   -2.9200    0.0851 C   0  0  0  0  0
    6.5501   -1.5575    0.0835 C   0  0  0  0  0
    7.7853   -0.7354   -0.1621 C   0  0  0  0  0
    8.7750   -1.0098    0.7337 F   0  0  0  0  0
    8.3074   -0.9473   -1.4024 F   0  0  0  0  0
    7.5766    0.6051   -0.0743 F   0  0  0  0  0
    7.7912   -3.6252   -0.1633 N   0  0  0  0  0
    8.5667   -4.3005    0.9008 C   0  0  0  0  0
    9.5558   -5.1240    0.1413 C   0  0  0  0  0
   10.6055   -5.8821    0.6353 C   0  0  0  0  0
   11.4081   -6.5744   -0.2738 C   0  0  0  0  0
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    1.1348   -0.4093    1.2649 H   0  0  0  0  0
    3.3607   -3.7149    0.8129 H   0  0  0  0  0
    5.5359   -4.8179    0.3568 H   0  0  0  0  0
    7.9234   -4.9454    1.5087 H   0  0  0  0  0
    9.0704   -3.5603    1.5296 H   0  0  0  0  0
   10.8087   -5.9339    1.7002 H   0  0  0  0  0
   12.2434   -7.1702    0.0872 H   0  0  0  0  0
   11.7891   -7.0479   -2.3453 H   0  0  0  0  0
    9.8926   -5.6871   -3.2057 H   0  0  0  0  0
    7.2862   -4.7730   -1.8893 H   0  0  0  0  0
    8.3759   -3.3750   -2.1930 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  9  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
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  9 10  1  0  0  0
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 20 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2179324

>  <PubChem CID>
57459524

>  <Formula>
C19H17F3N4

>  <Molecular Weight>
358.368000

>  <IUPAC Name>
3-(cyclopropylmethyl)-7-(1,3-dihydroisoindol-2-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)N4CC5=CC=CC=C5C4

>  <Isomeric SMILES>
C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)N4CC5=CC=CC=C5C4

>  <InChI Std. ID>
InChI=1S/C19H17F3N4/c20-19(21,22)17-15(25-10-13-3-1-2-4-14(13)11-25)7-8-26-16(9-12-5-6-12)23-24-18(17)26/h1-4,7-8,12H,5-6,9-11H2

>  <InChI Key>
AMBUFGVLRBBGHJ-UHFFFAOYSA-N

