
 SCHEMBL2024748

 48 50  0  0  0  0  0  0  0  0999 V2000
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   -1.7600   -0.3711   -1.0378 C   0  0  0  0  0
   -0.3426   -0.3808   -0.8248 O   0  0  0  0  0
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   -0.3945    2.0816   -0.7674 C   0  0  0  0  0
   -1.8556    2.1197   -0.9927 N   0  0  0  0  0
   -0.1177    0.6000    1.4048 C   0  0  0  0  0
    0.3205   -0.5874    2.0188 C   0  0  0  0  0
    0.2331   -0.7654    3.4037 C   0  0  0  0  0
   -0.2889    0.2469    4.2153 C   0  0  0  0  0
   -0.7664    1.4137    3.6085 C   0  0  0  0  0
   -0.6725    1.5931    2.2234 C   0  0  0  0  0
   -0.3573    0.0873    5.7101 C   0  0  0  0  0
   -1.5953   -0.5412    6.1067 N   0  0  0  0  0
   -2.0152   -0.4945    7.4187 C   0  0  0  0  0
   -1.4425    0.1445    8.2926 O   0  0  0  0  0
   -3.1999   -1.3149    7.7556 C   0  0  0  0  0
   -3.3563   -1.7651    9.0616 C   0  0  0  0  0
   -4.3781   -2.5602    9.4751 N   0  0  0  0  0
   -5.2933   -2.8920    8.5438 C   0  0  0  0  0
   -5.2455   -2.4653    7.2257 C   0  0  0  0  0
   -4.1776   -1.6645    6.8224 C   0  0  0  0  0
   -6.3654   -3.6821    8.8940 O   0  0  0  0  0
   -6.2103   -4.3355   10.1625 C   0  0  0  0  0
   -5.2280   -5.5037   10.1435 C   0  0  0  0  0
   -4.1105   -5.2496   10.8587 F   0  0  0  0  0
   -5.8044   -6.6039   10.6935 F   0  0  0  0  0
   -4.8515   -5.8514    8.8913 F   0  0  0  0  0
   -1.7783    0.9650   -2.7461 H   0  0  0  0  0
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   -2.0011   -1.2397   -1.6597 H   0  0  0  0  0
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    0.0891    2.1744   -1.7489 H   0  0  0  0  0
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    0.6003   -1.6909    3.8428 H   0  0  0  0  0
   -1.1936    2.2087    4.2182 H   0  0  0  0  0
   -1.0213    2.5380    1.8151 H   0  0  0  0  0
   -0.2563    1.0586    6.2077 H   0  0  0  0  0
    0.4695   -0.5381    6.0672 H   0  0  0  0  0
   -1.9568   -1.2532    5.4895 H   0  0  0  0  0
   -2.6380   -1.5051    9.8363 H   0  0  0  0  0
   -6.0218   -2.7562    6.5255 H   0  0  0  0  0
   -4.1389   -1.3103    5.7972 H   0  0  0  0  0
   -7.2039   -4.7299   10.4050 H   0  0  0  0  0
   -5.9816   -3.6230   10.9650 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
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  2 32  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
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  7  8  2  0  0  0
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  9 10  2  0  0  0
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 25 28  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2024748

>  <PubChem CID>
58315496

>  <Formula>
C19H20F3N3O3

>  <Molecular Weight>
395.382000

>  <IUPAC Name>
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)CNC(=O)C3=CN=C(C=C3)OCC(F)(F)F

>  <Isomeric SMILES>
C1CO[C@@H](CN1)C2=CC=C(C=C2)CNC(=O)C3=CN=C(C=C3)OCC(F)(F)F

>  <InChI Std. ID>
InChI=1S/C19H20F3N3O3/c20-19(21,22)12-28-17-6-5-15(10-24-17)18(26)25-9-13-1-3-14(4-2-13)16-11-23-7-8-27-16/h1-6,10,16,23H,7-9,11-12H2,(H,25,26)/t16-/m0/s1

>  <InChI Key>
ASOORYLEUXUFFI-INIZCTEOSA-N

