
 CHEMBL1949674

 57 59  0  0  0  0  0  0  0  0999 V2000
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    1.8428    2.3960    2.2176 H   0  0  0  0  0
    1.3413    0.7004    1.9909 H   0  0  0  0  0
    6.3017    0.6666    1.9548 H   0  0  0  0  0
    4.1033    1.2958    2.8789 H   0  0  0  0  0
    7.2920   -3.1338    2.3421 H   0  0  0  0  0
   10.6747   -4.1045    0.8176 H   0  0  0  0  0
   11.1195   -4.1287   -1.6698 H   0  0  0  0  0
   12.1014   -5.2072   -0.6668 H   0  0  0  0  0
   13.5229   -4.1381   -2.3186 H   0  0  0  0  0
   12.9734   -2.5285   -1.8628 H   0  0  0  0  0
   14.6168   -2.6382    1.4755 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1949674

>  <PubChem CID>
57402128

>  <Formula>
C21H28N4O4

>  <Molecular Weight>
400.479000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=NC(=C(C=C1)OC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)C)C

>  <Isomeric SMILES>
CC1=NC(=C(C=C1)OC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)C)C

>  <InChI Std. ID>
InChI=1S/C21H28N4O4/c1-13(2)27-21(26)25-10-8-17(9-11-25)28-19-15(4)20(23-12-22-19)29-18-7-6-14(3)24-16(18)5/h6-7,12-13,17H,8-11H2,1-5H3

>  <InChI Key>
CXRMSAPWFHEBME-UHFFFAOYSA-N

