
 CHEMBL562064

 51 54  0  0  0  0  0  0  0  0999 V2000
    4.3406   -4.3285    2.1563 C   0  0  0  0  0
    5.0882   -3.2171    1.4789 C   0  0  0  0  0
    4.6750   -2.7130    0.3033 C   0  0  0  0  0
    5.4299   -1.6883   -0.3040 C   0  0  0  0  0
    5.2172   -1.0306   -1.4219 N   0  0  0  0  0
    6.2837   -0.1952   -1.5463 C   0  0  0  0  0
    7.1771   -0.3450   -0.5003 C   0  0  0  0  0
    6.5866   -1.2781    0.3451 N   0  0  0  0  0
    6.9145   -1.8239    1.6000 C   0  0  0  0  0
    6.2017   -2.7635    2.1547 N   0  0  0  0  0
    8.1054   -1.2857    2.3239 C   0  0  0  0  0
    8.4905    0.3314   -0.3429 C   0  0  0  0  0
    9.6127   -0.6146   -0.3647 N   0  0  0  0  0
    9.7725   -1.3171   -1.6553 C   0  0  0  0  0
   10.1177   -0.4137   -2.8549 C   0  0  0  0  0
   11.2395    0.5194   -2.5927 N   0  0  0  0  0
   11.3308    1.0744   -1.2209 C   0  0  0  0  0
   10.8898    0.0865   -0.1169 C   0  0  0  0  0
   11.5825    1.4018   -3.6427 C   0  0  0  0  0
   11.0697    1.2629   -4.9452 C   0  0  0  0  0
   11.4119    2.1421   -5.9821 C   0  0  0  0  0
   12.3142    3.1747   -5.7647 C   0  0  0  0  0
   12.8490    3.3387   -4.4944 C   0  0  0  0  0
   12.4935    2.4587   -3.4587 C   0  0  0  0  0
   12.5788    3.9644   -6.8474 O   0  0  0  0  0
   13.8477    4.6088   -6.8371 C   0  0  0  0  0
    4.0324   -4.0220    3.1614 H   0  0  0  0  0
    4.9805   -5.2130    2.2448 H   0  0  0  0  0
    3.4410   -4.6189    1.6039 H   0  0  0  0  0
    3.7897   -3.0753   -0.2053 H   0  0  0  0  0
    6.3789    0.4608   -2.4034 H   0  0  0  0  0
    8.0943   -1.6480    3.3580 H   0  0  0  0  0
    8.0855   -0.1965    2.3686 H   0  0  0  0  0
    9.0255   -1.6526    1.8689 H   0  0  0  0  0
    8.4850    0.8969    0.5951 H   0  0  0  0  0
    8.5897    1.0921   -1.1276 H   0  0  0  0  0
    8.8791   -1.9083   -1.8880 H   0  0  0  0  0
   10.5729   -2.0611   -1.5376 H   0  0  0  0  0
   10.3839   -1.0831   -3.6825 H   0  0  0  0  0
    9.2218    0.1494   -3.1440 H   0  0  0  0  0
   12.3684    1.3387   -0.9883 H   0  0  0  0  0
   10.7243    1.9861   -1.1510 H   0  0  0  0  0
   11.6754   -0.6713    0.0088 H   0  0  0  0  0
   10.8445    0.6128    0.8449 H   0  0  0  0  0
   10.3768    0.4686   -5.2028 H   0  0  0  0  0
   10.9785    2.0023   -6.9690 H   0  0  0  0  0
   13.5392    4.1439   -4.2671 H   0  0  0  0  0
   12.9679    2.6313   -2.4985 H   0  0  0  0  0
   14.0114    5.0378   -7.8303 H   0  0  0  0  0
   14.6554    3.8939   -6.6447 H   0  0  0  0  0
   13.8671    5.4290   -6.1129 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 10  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 26 49  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL562064

>  <PubChem CID>
45267418

>  <Formula>
C20H25N5O

>  <Molecular Weight>
351.454000

>  <IUPAC Name>
3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-c]pyrimidine

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=NC=C(N2C(=N1)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC1=CC2=NC=C(N2C(=N1)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C20H25N5O/c1-15-12-20-21-13-18(25(20)16(2)22-15)14-23-8-10-24(11-9-23)17-4-6-19(26-3)7-5-17/h4-7,12-13H,8-11,14H2,1-3H3

>  <InChI Key>
GRGGCSOXPGDXHE-UHFFFAOYSA-N

