
 CHEMBL210551

 56 60  0  0  0  0  0  0  0  0999 V2000
    5.5345   -8.8913    2.5486 C   0  0  0  0  0
    5.8071   -7.6834    1.7085 C   0  0  0  0  0
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    5.1429   -5.7698   -2.8743 C   0  0  0  0  0
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    4.3447   -7.8133   -2.3842 N   0  0  0  0  0
    7.5047   -2.1563    0.0963 C   0  0  0  0  0
    8.9589   -1.9793    0.2350 N   0  0  0  0  0
    9.7244   -2.7500   -0.7815 C   0  0  0  0  0
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    9.2201    0.0305   -1.3450 C   0  0  0  0  0
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   11.4224    0.9463   -3.1485 C   0  0  0  0  0
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   10.5600   -0.6868   -4.6925 C   0  0  0  0  0
    9.7341   -1.7568   -4.9550 O   0  0  0  0  0
   10.1554   -2.6195   -6.0067 C   0  0  0  0  0
    5.9816   -9.7840    2.0989 H   0  0  0  0  0
    4.4557   -9.0547    2.6458 H   0  0  0  0  0
    5.9464   -8.7843    3.5577 H   0  0  0  0  0
    6.8509   -6.4944    3.1522 H   0  0  0  0  0
    7.6731   -4.0673    2.5002 H   0  0  0  0  0
    4.8186   -8.5889   -0.0064 H   0  0  0  0  0
    5.6487   -4.8331   -2.6914 H   0  0  0  0  0
    4.4668   -5.7414   -4.9658 H   0  0  0  0  0
    3.5303   -8.2186   -4.2555 H   0  0  0  0  0
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    7.1412   -1.8667   -0.8959 H   0  0  0  0  0
    9.4432   -3.8092   -0.7699 H   0  0  0  0  0
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    9.5413    1.0768   -1.3139 H   0  0  0  0  0
    8.1788    0.0368   -1.6907 H   0  0  0  0  0
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    8.6989    0.0636    0.7702 H   0  0  0  0  0
   11.5486    1.3324   -2.1399 H   0  0  0  0  0
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   12.5838    1.5732   -6.2742 H   0  0  0  0  0
   11.1899   -0.3779   -6.7548 H   0  0  0  0  0
   11.2238   -2.8533   -5.9379 H   0  0  0  0  0
    9.9086   -2.1919   -6.9835 H   0  0  0  0  0
    9.6026   -3.5588   -5.9093 H   0  0  0  0  0
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  1 33  1  0  0  0
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  2  3  2  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
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  6  7  1  0  0  0
  6 16  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL210551

>  <PubChem CID>
11682812

>  <Formula>
C23H26N6O

>  <Molecular Weight>
402.502000

>  <IUPAC Name>
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-8-pyrazol-1-ylimidazo[1,2-a]pyridine

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CN2C=C(N=C2C(=C1)N3C=CC=N3)CN4CCN(CC4)C5=CC=CC=C5OC

>  <Isomeric SMILES>
CC1=CN2C=C(N=C2C(=C1)N3C=CC=N3)CN4CCN(CC4)C5=CC=CC=C5OC

>  <InChI Std. ID>
InChI=1S/C23H26N6O/c1-18-14-21(29-9-5-8-24-29)23-25-19(17-28(23)15-18)16-26-10-12-27(13-11-26)20-6-3-4-7-22(20)30-2/h3-9,14-15,17H,10-13,16H2,1-2H3

>  <InChI Key>
CAVSFHXWRJHLEI-UHFFFAOYSA-N

