
 CHEMBL3909223

 60 64  0  0  0  0  0  0  0  0999 V2000
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    1.1268   -0.3927    8.1016 C   0  0  0  0  0
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    4.1191   -4.0713    2.0476 F   0  0  0  0  0
    3.2712   -1.7174   -1.9910 C   0  0  0  0  0
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    1.4805   -4.7473   -5.4745 C   0  0  0  0  0
    3.1294    0.5363   -4.0316 N   0  0  0  0  0
    4.0981    0.7772   -3.1143 N   0  0  0  0  0
    4.4541    2.0335   -3.3882 C   0  0  0  0  0
    3.6423    2.5442   -4.4008 C   0  0  0  0  0
    2.7853    1.6069   -4.8094 N   0  0  0  0  0
    0.9883    2.8688   -0.2922 H   0  0  0  0  0
    0.7378    2.2154   -1.9257 H   0  0  0  0  0
    2.3178    2.0878   -1.1336 H   0  0  0  0  0
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    0.9642   -0.2603   -2.2958 H   0  0  0  0  0
    0.4761   -1.3287   -1.0056 H   0  0  0  0  0
    3.9927   -1.3491    0.4413 H   0  0  0  0  0
    2.9935    0.2426    2.0916 H   0  0  0  0  0
    3.2843    1.0176    0.5498 H   0  0  0  0  0
    2.3271   -3.2101    0.5546 H   0  0  0  0  0
    1.0573   -2.1160    0.9985 H   0  0  0  0  0
    4.4476   -4.3206    4.5964 H   0  0  0  0  0
    3.1976   -3.0786    6.3318 H   0  0  0  0  0
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    5.2614    2.4999   -2.8436 H   0  0  0  0  0
    3.6348    3.5235   -4.8574 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  7  1  0  0  0
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  3 40  1  0  0  0
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  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
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  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  6 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3909223

>  <PubChem CID>
118116741

>  <Formula>
C26H25FN6O2

>  <Molecular Weight>
472.524000

>  <IUPAC Name>
[(2R,5R)-5-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]-2-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1CN(C(CO1)CC2=C(C=CC(=C2)C3=NC=CC=N3)F)C(=O)C4=C(C=CC(=C4)C)N5N=CC=N5

>  <Isomeric SMILES>
C[C@@H]1CN([C@@H](CO1)CC2=C(C=CC(=C2)C3=NC=CC=N3)F)C(=O)C4=C(C=CC(=C4)C)N5N=CC=N5

>  <InChI Std. ID>
InChI=1S/C26H25FN6O2/c1-17-4-7-24(33-30-10-11-31-33)22(12-17)26(34)32-15-18(2)35-16-21(32)14-20-13-19(5-6-23(20)27)25-28-8-3-9-29-25/h3-13,18,21H,14-16H2,1-2H3/t18-,21-/m1/s1

>  <InChI Key>
AEIDDRZWBROWDG-WIYYLYMNSA-N

