
 CHEMBL2086679

 52 54  0  0  0  0  0  0  0  0999 V2000
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    6.1634    7.4586    0.3348 N   0  0  0  0  0
    6.4899    8.7243   -0.0077 C   0  0  0  0  0
    7.2301    9.0516   -1.1152 C   0  0  0  0  0
    7.6825    7.9619   -1.8199 C   0  0  0  0  0
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    6.2484   12.0522   -2.4809 C   0  0  0  0  0
    4.9814   12.6329   -2.5151 C   0  0  0  0  0
    4.5524   13.2635   -3.6706 C   0  0  0  0  0
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    4.1804   12.5853   -1.4418 F   0  0  0  0  0
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    1.2684    0.8053   -1.2398 H   0  0  0  0  0
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    0.5266    1.5799    1.0878 H   0  0  0  0  0
    1.3916    1.0404    2.5165 H   0  0  0  0  0
    0.3117   -0.0870    1.6653 H   0  0  0  0  0
    3.7385   -1.2987    0.7056 H   0  0  0  0  0
    2.2198   -1.7351    1.4941 H   0  0  0  0  0
    3.3562   -0.6122    2.2758 H   0  0  0  0  0
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    5.2808    3.3634    1.8478 H   0  0  0  0  0
    3.6050    3.5576    1.3308 H   0  0  0  0  0
    6.1214    9.4664    0.6914 H   0  0  0  0  0
    8.3083    8.0882   -2.6985 H   0  0  0  0  0
    7.3185   12.1025   -0.6391 H   0  0  0  0  0
    5.8675   11.0893   -0.6195 H   0  0  0  0  0
    3.5675   13.7161   -3.7202 H   0  0  0  0  0
    7.1225   12.9071   -5.6508 H   0  0  0  0  0
    8.0493   11.7447   -3.6566 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2086679

>  <PubChem CID>
60155457

>  <Formula>
C19H24FN5O3

>  <Molecular Weight>
389.431000

>  <IUPAC Name>
tert-butyl 4-[5-[(3-fluoropyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)OCC3=C(C=NC=C3)F

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=N2)OCC3=C(C=NC=C3)F

>  <InChI Std. ID>
InChI=1S/C19H24FN5O3/c1-19(2,3)28-18(26)25-8-6-24(7-9-25)17-22-10-15(11-23-17)27-13-14-4-5-21-12-16(14)20/h4-5,10-12H,6-9,13H2,1-3H3

>  <InChI Key>
KNLSFFCJVSXZSY-UHFFFAOYSA-N

