
 CHEMBL3810032

 55 59  0  0  0  0  0  0  0  0999 V2000
    3.0556   -2.6231    1.1148 C   0  0  0  0  0
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    0.9165   -2.8055    1.0362 H   0  0  0  0  0
    1.4986    1.7965   -0.6425 H   0  0  0  0  0
    1.8580    0.8034    0.7566 H   0  0  0  0  0
    0.2035    0.9435    2.4808 H   0  0  0  0  0
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    1.1063   -0.8963   -6.0034 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 30  1  0  0  0
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  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5 27  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  1  0  0  0
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  8 35  1  0  0  0
  8 36  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3810032

>  <PubChem CID>
19970872

>  <Formula>
C25H26N4

>  <Molecular Weight>
382.511000

>  <IUPAC Name>
3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=CC=CC=C5CC4)N=C(C=C2C)C

>  <Isomeric SMILES>
CCC1=NC2=C(N1CC3=CC4=C(C=C3)NC5=CC=CC=C5CC4)N=C(C=C2C)C

>  <InChI Std. ID>
InChI=1S/C25H26N4/c1-4-23-28-24-16(2)13-17(3)26-25(24)29(23)15-18-9-12-22-20(14-18)11-10-19-7-5-6-8-21(19)27-22/h5-9,12-14,27H,4,10-11,15H2,1-3H3

>  <InChI Key>
ACMKSKQXSHCIPR-UHFFFAOYSA-N

