
 CHEMBL212631

 46 49  0  0  0  0  0  0  0  0999 V2000
    7.4353    3.2685   -0.7943 C   0  0  0  0  0
    6.6847    2.1091   -0.4551 O   0  0  0  0  0
    5.3603    2.3084   -0.1516 C   0  0  0  0  0
    4.9222    3.4873    0.4761 C   0  0  0  0  0
    3.5862    3.6516    0.8411 C   0  0  0  0  0
    2.6748    2.6353    0.5941 C   0  0  0  0  0
    3.1052    1.4550   -0.0125 C   0  0  0  0  0
    4.4487    1.2545   -0.3958 C   0  0  0  0  0
    4.7498    0.0108   -0.9899 N   0  0  0  0  0
    4.8000   -1.0845    0.0067 C   0  0  0  0  0
    4.8649   -2.4521   -0.7121 C   0  0  0  0  0
    5.9628   -2.6064   -1.7024 N   0  0  0  0  0
    5.8719   -1.4602   -2.6474 C   0  0  0  0  0
    5.8376   -0.0585   -1.9822 C   0  0  0  0  0
    7.2953   -2.6297   -1.0620 C   0  0  0  0  0
    7.4338   -3.7876   -0.1228 C   0  0  0  0  0
    7.3589   -5.1421   -0.3836 C   0  0  0  0  0
    7.5080   -5.7630    0.8277 N   0  0  0  0  0
    7.4881   -7.1204    1.1393 C   0  0  0  0  0
    7.6581   -7.5017    2.4176 C   0  0  0  0  0
    7.8652   -6.4800    3.4352 C   0  0  0  0  0
    7.8808   -5.1687    3.1247 C   0  0  0  0  0
    7.6918   -4.7611    1.7741 C   0  0  0  0  0
    7.6460   -3.5670    1.2243 N   0  0  0  0  0
    7.7455    3.8054    0.1074 H   0  0  0  0  0
    6.8853    3.9260   -1.4767 H   0  0  0  0  0
    8.3414    2.9372   -1.3113 H   0  0  0  0  0
    5.6147    4.2866    0.7173 H   0  0  0  0  0
    3.2631    4.5684    1.3268 H   0  0  0  0  0
    1.6320    2.7522    0.8743 H   0  0  0  0  0
    2.3766    0.6707   -0.2075 H   0  0  0  0  0
    3.9013   -1.0847    0.6359 H   0  0  0  0  0
    5.6648   -0.9560    0.6695 H   0  0  0  0  0
    4.8880   -3.2560    0.0315 H   0  0  0  0  0
    3.9201   -2.6000   -1.2530 H   0  0  0  0  0
    6.7010   -1.5039   -3.3644 H   0  0  0  0  0
    4.9583   -1.5883   -3.2429 H   0  0  0  0  0
    6.8154    0.1161   -1.5260 H   0  0  0  0  0
    5.6809    0.6953   -2.7624 H   0  0  0  0  0
    7.5188   -1.7049   -0.5186 H   0  0  0  0  0
    8.0661   -2.7373   -1.8363 H   0  0  0  0  0
    7.1879   -5.6880   -1.2999 H   0  0  0  0  0
    7.3283   -7.8170    0.3263 H   0  0  0  0  0
    7.6469   -8.5453    2.7135 H   0  0  0  0  0
    8.0074   -6.8069    4.4608 H   0  0  0  0  0
    8.0340   -4.4050    3.8785 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 30  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 24  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL212631

>  <PubChem CID>
6469693

>  <Formula>
C19H22N4O

>  <Molecular Weight>
322.412000

>  <IUPAC Name>
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN4C=CC=CC4=N3

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN4C=CC=CC4=N3

>  <InChI Std. ID>
InChI=1S/C19H22N4O/c1-24-18-7-3-2-6-17(18)22-12-10-21(11-13-22)14-16-15-23-9-5-4-8-19(23)20-16/h2-9,15H,10-14H2,1H3

>  <InChI Key>
QGLGNPCWSBQHAU-UHFFFAOYSA-N

