
 CHEMBL1951017

 54 56  0  0  0  0  0  0  0  0999 V2000
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   -1.3739    1.3700   -3.0229 C   0  0  0  0  0
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    0.8147    5.4455   -2.3398 C   0  0  0  0  0
    0.8889    6.8060   -2.0791 C   0  0  0  0  0
    2.1381    7.2382   -1.6605 C   0  0  0  0  0
    3.1911    6.4144   -1.5029 N   0  0  0  0  0
    3.0060    5.1343   -1.8235 C   0  0  0  0  0
    1.8646    4.6041   -2.2503 N   0  0  0  0  0
    2.3160    8.5911   -1.3822 O   0  0  0  0  0
    3.6494    8.9412   -0.9477 C   0  0  0  0  0
    4.0570   10.2978   -1.5412 C   0  0  0  0  0
    3.5258   11.5018   -0.7770 C   0  0  0  0  0
    3.7480   11.3612    0.6522 N   0  0  0  0  0
    3.1750   10.1616    1.2498 C   0  0  0  0  0
    3.7393    8.9097    0.5853 C   0  0  0  0  0
    4.3019   12.4053    1.3739 C   0  0  0  0  0
    4.7346   13.4342    0.8641 O   0  0  0  0  0
    4.3109   12.1716    2.7183 O   0  0  0  0  0
    4.8289   13.2272    3.5533 C   0  0  0  0  0
    4.1115   13.1357    4.8954 C   0  0  0  0  0
    6.3314   13.0456    3.7343 C   0  0  0  0  0
   -0.2595    7.7401   -2.2716 C   0  0  0  0  0
   -0.7819    3.7575   -5.2031 H   0  0  0  0  0
   -2.4738    3.8515   -4.6341 H   0  0  0  0  0
   -1.8580    2.3713   -5.3844 H   0  0  0  0  0
    0.0676    3.6700   -0.3601 H   0  0  0  0  0
   -1.1445   -0.0978   -1.4564 H   0  0  0  0  0
   -1.7898    0.6589   -3.7298 H   0  0  0  0  0
    3.8556    4.4685   -1.7235 H   0  0  0  0  0
    4.3888    8.2418   -1.3555 H   0  0  0  0  0
    3.7373   10.3655   -2.5872 H   0  0  0  0  0
    5.1540   10.3521   -1.5316 H   0  0  0  0  0
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    3.3693   10.1186    2.3240 H   0  0  0  0  0
    2.0894   10.2181    1.1181 H   0  0  0  0  0
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    3.2149    8.0340    0.9853 H   0  0  0  0  0
    4.6161   14.2117    3.1190 H   0  0  0  0  0
    4.2648   12.1552    5.3598 H   0  0  0  0  0
    3.0312   13.2539    4.7579 H   0  0  0  0  0
    4.4601   13.9095    5.5868 H   0  0  0  0  0
    6.5599   12.0598    4.1545 H   0  0  0  0  0
    6.7451   13.8118    4.3980 H   0  0  0  0  0
    6.8496   13.1061    2.7721 H   0  0  0  0  0
   -1.2153    7.2111   -2.3458 H   0  0  0  0  0
   -0.1220    8.3188   -3.1909 H   0  0  0  0  0
   -0.3473    8.4296   -1.4259 H   0  0  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  3  2  0  0  0
  2  7  1  0  0  0
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  3  8  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  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
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1951017

>  <PubChem CID>
57397674

>  <Formula>
C20H26N4O4

>  <Molecular Weight>
386.452000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-9-6-16(7-10-24)27-18-15(4)19(23-12-22-18)28-17-11-21-8-5-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3

>  <InChI Key>
SFJAFRSDVYDKBZ-UHFFFAOYSA-N

