
 SCHEMBL15579032

 48 51  0  0  0  0  0  0  0  0999 V2000
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   -4.5156   -5.1819    1.4793 C   0  0  0  0  0
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   -4.9830   -2.7276    0.1714 C   0  0  0  0  0
   -6.0907   -3.3114    0.9608 N   0  0  0  0  0
   -3.0470   -2.5407    1.9537 C   0  0  0  0  0
   -1.8049   -2.9584    2.4635 C   0  0  0  0  0
   -1.2896   -2.4203    3.6510 C   0  0  0  0  0
   -1.9987   -1.4457    4.3566 C   0  0  0  0  0
   -3.2261   -1.0202    3.8487 C   0  0  0  0  0
   -3.7375   -1.5503    2.6597 C   0  0  0  0  0
   -1.4413   -0.9540    5.5532 N   0  0  0  0  0
   -1.9359    0.0694    6.3438 C   0  0  0  0  0
   -2.8991    0.7792    6.0834 O   0  0  0  0  0
   -1.1781    0.2972    7.5620 C   0  0  0  0  0
   -0.3345   -0.5507    8.2615 C   0  0  0  0  0
    0.1995    0.2201    9.3093 N   0  0  0  0  0
   -0.4673    1.3977    9.4374 N   0  0  0  0  0
   -1.2366    1.4613    8.3539 C   0  0  0  0  0
    1.2749   -0.0744   10.1962 C   0  0  0  0  0
    2.2727   -0.9971    9.8508 C   0  0  0  0  0
    3.3266   -1.2459   10.7340 C   0  0  0  0  0
    3.3806   -0.5770   11.9520 C   0  0  0  0  0
    2.4087    0.3514   12.3021 C   0  0  0  0  0
    1.3603    0.6150   11.4191 C   0  0  0  0  0
    4.3926   -0.8228   12.7938 F   0  0  0  0  0
   -0.0994   -1.8882    8.0823 N   0  0  0  0  0
   -6.0736   -5.1611   -0.0285 H   0  0  0  0  0
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    2.2876   -1.4882    8.8817 H   0  0  0  0  0
    4.1160   -1.9438   10.4726 H   0  0  0  0  0
    2.4729    0.8682   13.2544 H   0  0  0  0  0
    0.6055    1.3475   11.7025 H   0  0  0  0  0
    0.2480   -2.4115    8.8898 H   0  0  0  0  0
   -0.8493   -2.4351    7.6530 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
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  4 33  1  0  0  0
  5  6  1  0  0  0
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  5 35  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
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  9 10  2  0  0  0
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 28 48  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL15579032

>  <PubChem CID>
73442097

>  <Formula>
C20H20FN5O2

>  <Molecular Weight>
381.411000

>  <IUPAC Name>
5-amino-1-(4-fluorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N

>  <InChI Std. ID>
InChI=1S/C20H20FN5O2/c21-14-3-7-16(8-4-14)26-19(22)17(11-24-26)20(27)25-15-5-1-13(2-6-15)18-12-23-9-10-28-18/h1-8,11,18,23H,9-10,12,22H2,(H,25,27)/t18-/m1/s1

>  <InChI Key>
BHEYHAQKDMNMBT-GOSISDBHSA-N

