
 CHEMBL560125

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.7053   -1.4931   -4.0911 C   0  0  0  0  0
    1.8974   -1.2762   -3.3458 O   0  0  0  0  0
    2.4528   -0.0339   -3.4538 C   0  0  0  0  0
    3.7984    0.0454   -3.1192 C   0  0  0  0  0
    4.4835    1.2667   -3.1881 C   0  0  0  0  0
    3.8465    2.4655   -3.5540 C   0  0  0  0  0
    2.4868    2.3474   -3.8989 C   0  0  0  0  0
    1.7946    1.1249   -3.8424 C   0  0  0  0  0
    4.5312    3.7027   -3.6066 N   0  0  0  0  0
    5.8796    3.7383   -2.9906 C   0  0  0  0  0
    6.5472    5.1321   -3.0133 C   0  0  0  0  0
    5.6921    6.2522   -2.5621 N   0  0  0  0  0
    4.5009    6.2278   -3.4415 C   0  0  0  0  0
    3.6931    4.9131   -3.4269 C   0  0  0  0  0
    5.3577    6.1108   -1.1367 C   0  0  0  0  0
    4.5473    7.2551   -0.6530 C   0  0  0  0  0
    3.2423    7.3167   -0.2042 C   0  0  0  0  0
    2.8751    8.6043    0.0896 N   0  0  0  0  0
    3.9423    9.3312   -0.1614 C   0  0  0  0  0
    4.9951    8.5556   -0.5923 N   0  0  0  0  0
    6.2449    9.0927   -0.8915 C   0  0  0  0  0
    6.4763   10.3706   -0.7810 N   0  0  0  0  0
    5.4201   11.1617   -0.3751 C   0  0  0  0  0
    4.1907   10.7147   -0.0684 C   0  0  0  0  0
    0.4727   -2.5613   -4.0428 H   0  0  0  0  0
    0.8427   -1.2286   -5.1452 H   0  0  0  0  0
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    4.3311   -0.8514   -2.8131 H   0  0  0  0  0
    5.5371    1.2372   -2.9319 H   0  0  0  0  0
    1.9141    3.2073   -4.2306 H   0  0  0  0  0
    0.7410    1.1228   -4.1010 H   0  0  0  0  0
    6.5494    3.0619   -3.5358 H   0  0  0  0  0
    5.8218    3.3961   -1.9496 H   0  0  0  0  0
    7.4671    5.1037   -2.4158 H   0  0  0  0  0
    6.8777    5.3457   -4.0391 H   0  0  0  0  0
    3.8337    7.0674   -3.2136 H   0  0  0  0  0
    4.8378    6.4174   -4.4704 H   0  0  0  0  0
    3.1333    4.8402   -2.4862 H   0  0  0  0  0
    2.9702    4.9964   -4.2464 H   0  0  0  0  0
    6.2850    6.0781   -0.5494 H   0  0  0  0  0
    4.8273    5.1768   -0.9183 H   0  0  0  0  0
    2.5398    6.4991   -0.0980 H   0  0  0  0  0
    7.0506    8.4170   -1.2174 H   0  0  0  0  0
    5.6355   12.2261   -0.3133 H   0  0  0  0  0
    3.3956   11.3833    0.2398 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
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  7 30  1  0  0  0
  8 31  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
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 16 17  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL560125

>  <PubChem CID>
45268270

>  <Formula>
C18H21N5O

>  <Molecular Weight>
323.400000

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

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CN=C4N3C=NC=C4

>  <Isomeric SMILES>
COC1=CC=C(C=C1)N2CCN(CC2)CC3=CN=C4N3C=NC=C4

>  <InChI Std. ID>
InChI=1S/C18H21N5O/c1-24-17-4-2-15(3-5-17)22-10-8-21(9-11-22)13-16-12-20-18-6-7-19-14-23(16)18/h2-7,12,14H,8-11,13H2,1H3

>  <InChI Key>
CLJVVRVQKCBMQY-UHFFFAOYSA-N

