
 CHEMBL1951026

 54 56  0  0  0  0  0  0  0  0999 V2000
    1.1125   16.4752    5.1594 C   0  0  0  0  0
    0.0062   15.4993    5.4172 C   0  0  0  0  0
    0.1735   14.1096    5.3634 C   0  0  0  0  0
   -0.8751   13.2835    5.7665 C   0  0  0  0  0
   -2.0812   13.8645    6.1149 C   0  0  0  0  0
   -2.2933   15.1943    6.1386 N   0  0  0  0  0
   -1.2435   15.9768    5.8070 C   0  0  0  0  0
    1.4170   13.6307    5.0068 O   0  0  0  0  0
    1.5394   12.5182    4.1711 C   0  0  0  0  0
    2.8233   12.1243    3.8356 C   0  0  0  0  0
    2.8862   11.0069    3.0192 C   0  0  0  0  0
    1.8142   10.3199    2.5913 N   0  0  0  0  0
    0.6315   10.8082    2.9656 C   0  0  0  0  0
    0.4350   11.8864    3.7282 N   0  0  0  0  0
    4.1400   10.6009    2.6116 O   0  0  0  0  0
    4.1997    9.3966    1.8318 C   0  0  0  0  0
    5.4376    9.4903    0.9362 C   0  0  0  0  0
    6.7518    9.1748    1.6540 C   0  0  0  0  0
    6.6374    9.0702    3.0990 N   0  0  0  0  0
    5.5364    8.2931    3.6598 C   0  0  0  0  0
    4.3303    8.1723    2.7344 C   0  0  0  0  0
    7.7138    9.4600    3.8824 C   0  0  0  0  0
    8.7087   10.0348    3.4538 O   0  0  0  0  0
    7.5432    9.1153    5.1897 O   0  0  0  0  0
    8.6113    9.4597    6.0902 C   0  0  0  0  0
    8.0220    9.4456    7.4960 C   0  0  0  0  0
    9.7391    8.4407    5.9727 C   0  0  0  0  0
    4.0568   12.8555    4.2574 C   0  0  0  0  0
    0.7440   17.3284    4.5790 H   0  0  0  0  0
    1.9358   16.0317    4.5933 H   0  0  0  0  0
    1.5074   16.8442    6.1119 H   0  0  0  0  0
   -0.7742   12.2062    5.8077 H   0  0  0  0  0
   -2.9322   13.2526    6.4001 H   0  0  0  0  0
   -1.4404   17.0440    5.8760 H   0  0  0  0  0
   -0.2513   10.2811    2.6218 H   0  0  0  0  0
    3.3337    9.3025    1.1652 H   0  0  0  0  0
    5.4990   10.4930    0.4966 H   0  0  0  0  0
    5.3344    8.7898    0.0965 H   0  0  0  0  0
    7.1435    8.2130    1.3013 H   0  0  0  0  0
    7.4988    9.9286    1.3818 H   0  0  0  0  0
    5.9173    7.2962    3.9118 H   0  0  0  0  0
    5.2270    8.7645    4.6006 H   0  0  0  0  0
    4.4327    7.2740    2.1129 H   0  0  0  0  0
    3.4306    8.0324    3.3447 H   0  0  0  0  0
    8.9775   10.4706    5.8746 H   0  0  0  0  0
    7.5982    8.4635    7.7344 H   0  0  0  0  0
    7.2018   10.1675    7.5728 H   0  0  0  0  0
    8.7774    9.6943    8.2473 H   0  0  0  0  0
    9.3644    7.4228    6.1278 H   0  0  0  0  0
   10.5301    8.6404    6.7016 H   0  0  0  0  0
   10.1845    8.4601    4.9730 H   0  0  0  0  0
    4.7981   12.1585    4.6633 H   0  0  0  0  0
    3.8592   13.5964    5.0373 H   0  0  0  0  0
    4.4931   13.3791    3.3997 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  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
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 35  1  0  0  0
 15 16  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 25 27  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
 28 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1951026

>  <PubChem CID>
57399345

>  <Formula>
C20H26N4O4

>  <Molecular Weight>
386.452000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

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

>  <Isomeric SMILES>
CC1=C(C=CN=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)28-17-5-8-21-11-14(17)3/h5,8,11-13,16H,6-7,9-10H2,1-4H3

>  <InChI Key>
ZVBQBROWGCHSPG-UHFFFAOYSA-N

