
 CHEMBL1951020

 58 60  0  0  0  0  0  0  0  0999 V2000
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    8.3400   -2.8333   -1.4454 O   0  0  0  0  0
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    0.4482    0.9452    1.5432 H   0  0  0  0  0
    6.0200    1.1012    0.1202 H   0  0  0  0  0
    3.1955   -3.8367    1.2582 H   0  0  0  0  0
    3.5341   -2.9594   -1.1506 H   0  0  0  0  0
    4.3121   -4.4157   -0.5425 H   0  0  0  0  0
    5.9770   -3.3532   -1.7438 H   0  0  0  0  0
    5.6274   -1.7607   -1.1325 H   0  0  0  0  0
    7.1165   -3.0373    2.2217 H   0  0  0  0  0
    6.4379   -1.5329    1.6660 H   0  0  0  0  0
    5.1300   -4.2029    2.2369 H   0  0  0  0  0
    4.7257   -2.6523    2.9670 H   0  0  0  0  0
   10.2850   -1.7513   -0.6061 H   0  0  0  0  0
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    0.5628    6.1828    0.9055 H   0  0  0  0  0
    1.5040    4.9512    1.7692 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
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  6  7  2  0  0  0
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  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1951020

>  <PubChem CID>
57397676

>  <Formula>
C21H28N4O5

>  <Molecular Weight>
416.478000

>  <IUPAC Name>
propan-2-yl 4-[6-(6-methoxy-2-methylpyridin-3-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=C(N=C(C=C3)OC)C

>  <Isomeric SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=C(N=C(C=C3)OC)C

>  <InChI Std. ID>
InChI=1S/C21H28N4O5/c1-13(2)28-21(26)25-10-8-16(9-11-25)29-19-14(3)20(23-12-22-19)30-17-6-7-18(27-5)24-15(17)4/h6-7,12-13,16H,8-11H2,1-5H3

>  <InChI Key>
MYMOQKFPODBRKH-UHFFFAOYSA-N

